2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide

C14H12ClF2N3O — CID 103587266

IUPAC2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cc(F)c(C)cc2F)cc(Cl)n1
InChIInChI=1S/C14H12ClF2N3O/c1-7-3-10(17)11(6-9(7)16)19-14(21)8-4-12(15)20-13(5-8)18-2/h3-6H,1-2H3,(H,18,20)(H,19,21)
InChIKeyUARAQDGGBAZYBJ-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.62
Rot. Bonds3

About 2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide (PubChem CID 103587266) has the molecular formula C14H12ClF2N3O and a molecular weight of 311.72 g/mol. Its IUPAC name is 2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
PubChem CID103587266
Molecular FormulaC14H12ClF2N3O
Molecular Weight311.72 g/mol
Exact Mass311.06
IUPAC Name2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cc(F)c(C)cc2F)cc(Cl)n1
InChIInChI=1S/C14H12ClF2N3O/c1-7-3-10(17)11(6-9(7)16)19-14(21)8-4-12(15)20-13(5-8)18-2/h3-6H,1-2H3,(H,18,20)(H,19,21)
InChIKeyUARAQDGGBAZYBJ-UHFFFAOYSA-N
XLogP3.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 53.62
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-amino-6-chloro-N-(2,5-difluoro-4-methylphenyl)pyridine-4-carboxamide
CID 103587247
2-chloro-N-(4-fluoro-3-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62811586
2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166263
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-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 107616840
N-(2,5-difluoro-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107704386
N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 65437023
2-chloro-N-(2-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62185758
2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 66255648
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
2,6-dichloro-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 43384924

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide (CID 103587266) is 2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2cc(F)c(C)cc2F)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is UARAQDGGBAZYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N3O/c1-7-3-10(17)11(6-9(7)16)19-14(21)8-4-12(15)20-13(5-8)18-2/h3-6H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 311.72 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 103587266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).