2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide

C15H16ClN3O — CID 62166263

IUPAC2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cccc(C)c2C)cc(Cl)n1
InChIInChI=1S/C15H16ClN3O/c1-9-5-4-6-12(10(9)2)18-15(20)11-7-13(16)19-14(8-11)17-3/h4-8H,1-3H3,(H,17,19)(H,18,20)
InChIKeyJFVVNAJANQTXIQ-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.65
Rot. Bonds3

About 2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide (PubChem CID 62166263) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide
PubChem CID62166263
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cccc(C)c2C)cc(Cl)n1
InChIInChI=1S/C15H16ClN3O/c1-9-5-4-6-12(10(9)2)18-15(20)11-7-13(16)19-14(8-11)17-3/h4-8H,1-3H3,(H,17,19)(H,18,20)
InChIKeyJFVVNAJANQTXIQ-UHFFFAOYSA-N
XLogP3.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.65
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-(2,3-dimethylphenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62241615
2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 66255648
2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166988
2-chloro-N-(2-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62185758
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 103587266
2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 62186084
4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777
2-chloro-N-(3-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62167485
2-chloro-N-(4-fluoro-3-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62811586
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62165739
N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 113378489

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide (CID 62166263) is 2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2cccc(C)c2C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is JFVVNAJANQTXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9-5-4-6-12(10(9)2)18-15(20)11-7-13(16)19-14(8-11)17-3/h4-8H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62166263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).