N-Phenylisonicotinamide
PubChem CID
220840
Structure
Molecular Formula
Synonyms
- N-Phenylisonicotinamide
- 3034-31-9
- N-Phenyl isonicotinicamide
- N-Phenyl-isonicotinamide
- N-Phenylpyridine-4-carboxamide
Molecular Weight
198.22 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-25
See also: 4-Isonicotinic acid anilide (annotation moved to).
Chemical Structure Depiction
CCDC Number
Associated Article
Crystal Structure Data
N-phenylpyridine-4-carboxamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C12H10N2O/c15-12(10-6-8-13-9-7-10)14-11-4-2-1-3-5-11/h1-9H,(H,14,15)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
FCTZHFATVFONMW-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C(C=C1)NC(=O)C2=CC=NC=C2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H10N2O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- N-Phenylisonicotinamide
- 3034-31-9
- N-Phenyl isonicotinicamide
- N-Phenyl-isonicotinamide
- N-Phenylpyridine-4-carboxamide
- N-phenyl-4-pyridinecarboxamide
- 4-Pyridinecarboxamide, N-phenyl-
- Isonicotinanilide
- MFCD00459246
- 4-(N-phenylcarbamoyl)pyridine
- NSC4266
- N-Phenylisonicotinicamide
- N-Phenylisonicotinamide #
- Oprea1_154786
- Oprea1_415394
- CBDivE_001530
- MLS000523636
- SCHEMBL946432
- CHEMBL1410760
- DTXSID90277800
- HMS1686C13
- HMS2378O11
- N~4~-PHENYLISONICOTINAMIDE
- NSC 4266
- NSC-4266
- STK247149
- AKOS000584011
- CS-W022927
- SB52327
- AC-19939
- DS-14561
- SMR000122709
- SY064477
- DB-014074
- NS00121255
- AE-641/02617052
- J-017918
- J-523755
- Z27782617
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
198.22 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
1.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
198.079312947 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
198.079312947 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
42 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
206
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
1D NMR Spectra
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
4-Isonicotinic acid anilide (annotation moved to)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=FCTZHFATVFONMW-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Isonicotinanilidehttps://commonchemistry.cas.org/detail?cas_rn=3034-31-9
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSToxN-Phenylisonicotinamidehttps://comptox.epa.gov/dashboard/DTXSID90277800CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- Crystallography Open Database (COD)LICENSEAll data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.https://creativecommons.org/publicdomain/zero/1.0/
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawN-Phenylpyridine-4-carboxamidehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseN-Phenylisonicotinamidehttps://spectrabase.com/spectrum/I47tKyScD76N-Phenylisonicotinamidehttps://spectrabase.com/spectrum/1q0ZKnbDve9
- NMRShiftDB
- Springer Nature
- The Cambridge Structural Database
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- WikidataN-Phenyl-4-pyridinecarboxamidehttps://www.wikidata.org/wiki/Q72498539
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388384563https://pubchem.ncbi.nlm.nih.gov/substance/388384563
CONTENTS