62184944
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1
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31
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18
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5
255
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5.135
3.403
5.135
2.5369
4.269
5.135
4.269
5.135
4.269
6.001
4.269
4.269
6.001
3.403
3.403
5.135
6.001
5.135
6.001
2.5369
5.672
3.732
6.538
3.732
6.538
2.866
5.672
6.2131
6.6116
5.672
2
6.621
6.001
5.381
1.9169
2.5369
3.1569
3.5
-0.5
-0.5
-4
-4
0.5
-2
2.5
1
1
-1
2
2
-2.5
-3.5
-2.5
4
-3.5
5
-5
-0.81
0.69
0.69
2.31
2.31
-2.19
-2.19
3.4174
4.1077
-3.81
-3.69
5
5.62
5
-5
-5.62
-5
8
8
8
8
8
8
8
8
8
8
8
8
5
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18
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18
0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
304
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
2
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
00000371E07330000000000000000000000000000000000000003C400000000000000001C000001E00100000000C0CE19A063FF692C81400A8023777740082882935222009D8A13E6CD88C2672C4B59B863928ECD413C8E9A7B440000A00400000000000000080000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-(4-ethoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-(4-ethoxyphenyl)-2-(methylamino)-4-pyridinecarboxamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-(4-ethoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-(4-ethoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(methylamino)-N-p-phenetyl-isonicotinamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C15H17N3O2/c1-3-20-13-6-4-12(5-7-13)18-15(19)11-8-9-17-14(10-11)16-2/h4-10H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
MJHWUVRPJKLSTN-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
2.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
271.132077
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C15H17N3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
271.31438
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CCOC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)NC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CCOC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)NC
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
63.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
271.132077
20
0
0
0
0
0
0
0
1
4