6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide

C13H12ClN3O2 — CID 62060820

IUPAC6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N)nc2)cc1Cl
InChIInChI=1S/C13H12ClN3O2/c1-19-11-4-3-9(6-10(11)14)17-13(18)8-2-5-12(15)16-7-8/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyQTWNIKQLHDKCTR-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.58
Rot. Bonds3

About 6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide

6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 62060820) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID62060820
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N)nc2)cc1Cl
InChIInChI=1S/C13H12ClN3O2/c1-19-11-4-3-9(6-10(11)14)17-13(18)8-2-5-12(15)16-7-8/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyQTWNIKQLHDKCTR-UHFFFAOYSA-N
XLogP2.58
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
N-(3-chloro-4-methoxyphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62184786
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
CID 55043717
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109163790
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109269304
6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 109155138
4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide
CID 143165536
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 62060168

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide (CID 62060820) is 6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(N)nc2)cc1Cl.
What is the InChIKey of 6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is QTWNIKQLHDKCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-19-11-4-3-9(6-10(11)14)17-13(18)8-2-5-12(15)16-7-8/h2-7H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide?
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 62060820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).