2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide

C14H12Cl2N2O — CID 4862033

IUPAC2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Cl)cc2)c(Cl)n1
InChIInChI=1S/C14H12Cl2N2O/c1-8-7-9(2)17-13(16)12(8)14(19)18-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,18,19)
InChIKeyXDXMXQVJHSJSKT-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.26
Rot. Bonds2

About 2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide

2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 4862033) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide
PubChem CID4862033
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Cl)cc2)c(Cl)n1
InChIInChI=1S/C14H12Cl2N2O/c1-8-7-9(2)17-13(16)12(8)14(19)18-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,18,19)
InChIKeyXDXMXQVJHSJSKT-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 4862032
2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 4656022
N-(4-bromophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide
CID 45032147
N-(4-chlorophenyl)-2-hydroxy-6-methylbenzamide
CID 46215145
N-(4-chlorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 113379184
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8510885
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
N-(3-chlorophenyl)-4,6-dimethyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 23609934
N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506182
5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
CID 167928774
N-(4-chlorophenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 12664397
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8510730

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide (CID 4862033) is 2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2)c(Cl)n1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is XDXMXQVJHSJSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-8-7-9(2)17-13(16)12(8)14(19)18-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide?
2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 295.17 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 4862033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).