2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide

C13H12ClN3O — CID 55042308

IUPAC2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccccc2)cc(Cl)n1
InChIInChI=1S/C13H12ClN3O/c1-15-12-8-9(7-11(14)17-12)13(18)16-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17)(H,16,18)
InChIKeyALDCJLKCOOSONN-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide

2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide (PubChem CID 55042308) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
PubChem CID55042308
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccccc2)cc(Cl)n1
InChIInChI=1S/C13H12ClN3O/c1-15-12-8-9(7-11(14)17-12)13(18)16-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17)(H,16,18)
InChIKeyALDCJLKCOOSONN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62167485
2-chloro-N-(2-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62185758
2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 78954355
2-chloro-N-(4-fluoro-3-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62811586
2-chloro-6-(methylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide
CID 165414921
N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 65437023
2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 66255648
2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166263
2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide
CID 62178501
2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166988
2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 62186084
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 79048306

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide (CID 55042308) is 2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide is CNc1cc(C(=O)Nc2ccccc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide?
The InChIKey is ALDCJLKCOOSONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-15-12-8-9(7-11(14)17-12)13(18)16-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide?
2-chloro-6-(methylamino)-N-phenylpyridine-4-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 2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 55042308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).