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

C14H13Cl2N3O — CID 66255648

IUPAC2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2c(C)cccc2Cl)cc(Cl)n1
InChIInChI=1S/C14H13Cl2N3O/c1-8-4-3-5-10(15)13(8)19-14(20)9-6-11(16)18-12(7-9)17-2/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyLOOBNBJZGZXCDP-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.99
Rot. Bonds3

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

2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide (PubChem CID 66255648) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
PubChem CID66255648
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2c(C)cccc2Cl)cc(Cl)n1
InChIInChI=1S/C14H13Cl2N3O/c1-8-4-3-5-10(15)13(8)19-14(20)9-6-11(16)18-12(7-9)17-2/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyLOOBNBJZGZXCDP-UHFFFAOYSA-N
XLogP3.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.99
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-(methylamino)pyridine-4-carboxamide
CID 62166263
2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 62186084
2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166988
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 66254574
2-chloro-N-(4-fluoro-3-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62811586
2-chloro-N-(3-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62167485
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
CID 66254685
2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 103587266
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
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-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide (CID 66255648) is 2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2c(C)cccc2Cl)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is LOOBNBJZGZXCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-8-4-3-5-10(15)13(8)19-14(20)9-6-11(16)18-12(7-9)17-2/h3-7H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 310.18 g/mol, XLogP of 3.99, 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-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 66255648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).