60301195
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3.732
3.732
2.866
5.4641
4.5981
3.732
4.5981
3.732
5.4641
3.732
4.5981
4.5981
4.5981
5.4641
6.3301
5.4641
2.866
2
6.3301
5.4641
3.732
4.5981
2.866
4.5981
2.866
3.1951
6.001
4.0611
6.001
6.8671
5.4641
2.246
2.31
1.4631
1.69
2.866
3.486
6.8671
6.001
5.135
2.3291
5.135
2.3291
2.25
-0.75
-4.25
-0.75
-4.25
5.25
-2.25
-3.75
0.25
-2.75
-1.25
0.75
1.75
-2.75
0.75
2.25
-5.25
-3.75
1.75
-3.75
3.25
3.75
3.75
4.75
4.75
-2.44
-1.06
0.44
-2.44
0.44
2.87
-5.25
-3.2131
-3.44
-4.2869
-5.87
-5.25
2.06
-4.06
3.44
3.44
5.06
5.06
8
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0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
426
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB0000000000000000000000000000000000000003C588000000000000001F000001E00100000000C0CC19A043FF693C81400A8023777740082882935222009D8213E6CD88C2672C4B59B863928EED41BC8E9A79450030A00000002000000000000000400000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(dimethylamino)-N-[3-(4-pyridyloxy)phenyl]pyridine-4-carboxamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(dimethylamino)-N-(3-pyridin-4-yloxyphenyl)-4-pyridinecarboxamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(dimethylamino)-N-(3-pyridin-4-yloxyphenyl)pyridine-4-carboxamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(dimethylamino)-N-(3-pyridin-4-yloxyphenyl)pyridine-4-carboxamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(dimethylamino)-N-[3-(4-pyridyloxy)phenyl]isonicotinamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C19H18N4O2/c1-23(2)18-12-14(6-11-21-18)19(24)22-15-4-3-5-17(13-15)25-16-7-9-20-10-8-16/h3-13H,1-2H3,(H,22,24)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
GPXSQJDDWAHFNF-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
2.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
334.142976
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C19H18N4O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
334.37182
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CN(C)C1=NC=CC(=C1)C(=O)NC2=CC(=CC=C2)OC3=CC=NC=C3
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CN(C)C1=NC=CC(=C1)C(=O)NC2=CC(=CC=C2)OC3=CC=NC=C3
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
67.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
334.142976
25
0
0
0
0
0
0
0
1
2