N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide

C13H12ClN3O — CID 62167597

IUPACN-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O/c1-15-12-11(3-2-8-16-12)13(18)17-10-6-4-9(14)5-7-10/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKeyIBSBBIVUKAQRBE-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.03
Rot. Bonds3

About N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide

N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62167597) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID62167597
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O/c1-15-12-11(3-2-8-16-12)13(18)17-10-6-4-9(14)5-7-10/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKeyIBSBBIVUKAQRBE-UHFFFAOYSA-N
XLogP3.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 55138096
[4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite
CID 142179435
N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 23632609
N-(3,4-dimethylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62173357
2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 84575067
N-(4-chlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632593
2-(methylamino)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 62913801
N-(4-chlorophenyl)pyrimidine-2-carboxamide
CID 56724074
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
2-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62167336
N-(4-hydroxyphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574934
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide (CID 62167597) is N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is IBSBBIVUKAQRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-15-12-11(3-2-8-16-12)13(18)17-10-6-4-9(14)5-7-10/h2-8H,1H3,(H,15,16)(H,17,18).
What are the key properties of N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide?
N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62167597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).