67057521
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6.3301
5.4641
8.9282
10.6603
4.5981
3.732
4.5981
6.3301
2.866
5.4641
3.732
3.732
7.1962
8.0622
2
5.4641
2.866
3.732
4.5981
2
8.0622
8.9282
9.7942
9.7942
4.5981
5.4641
6.001
2.866
3.1951
4.269
6.7976
7.5947
6.001
1.4631
3.1951
2.866
1.4631
4.5981
7.5252
8.9282
10.3312
11.1972
10.6603
0.5
-1
-1
1
-0.5
-1
0.5
-0.5
-0.5
1
-2
1
-1
-0.5
-1
2
-2.5
2
2.5
-2
0.5
1
0.5
-0.5
-1.12
-1.62
0.69
0.12
0.69
-2.31
-1.475
-1.475
2.31
-0.69
2.31
-3.12
-2.31
3.12
0.81
1.62
-0.81
0.69
1.62
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
370
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
2
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B20000000000000000000000000000000000000003C608000000000000001D000001E00100000000C28C19E043CC092C81000A8033577540082802031122008D8A13874980860FAC0D591942008609600C8C8071888C08E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-(5-amino-2-pyridyl)-N-benzhydryl-acetamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-(5-amino-2-pyridinyl)-N-(diphenylmethyl)acetamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-(5-aminopyridin-2-yl)-N-benzhydrylacetamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-(5-azanylpyridin-2-yl)-N-(diphenylmethyl)ethanamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-(5-amino-2-pyridyl)-N-benzhydryl-acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C20H19N3O/c21-17-11-12-18(22-14-17)13-19(24)23-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,20H,13,21H2,(H,23,24)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
FIOLHUUHLHHBFO-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
2.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
317.152812
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C20H19N3O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
317.38436
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CC3=NC=C(C=C3)N
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CC3=NC=C(C=C3)N
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
68
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
317.152812
24
0
0
0
0
0
0
0
1
10