2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide

C20H18ClN3O — CID 23633001

IUPAC2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccnc1Nc1ccccc1Cl
InChIInChI=1S/C20H18ClN3O/c1-13-7-5-8-14(2)18(13)24-20(25)15-9-6-12-22-19(15)23-17-11-4-3-10-16(17)21/h3-12H,1-2H3,(H,22,23)(H,24,25)
InChIKeyCCXFUVNVSOFDRY-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.35
Rot. Bonds4

About 2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide

2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 23633001) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
PubChem CID23633001
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccnc1Nc1ccccc1Cl
InChIInChI=1S/C20H18ClN3O/c1-13-7-5-8-14(2)18(13)24-20(25)15-9-6-12-22-19(15)23-17-11-4-3-10-16(17)21/h3-12H,1-2H3,(H,22,23)(H,24,25)
InChIKeyCCXFUVNVSOFDRY-UHFFFAOYSA-N
XLogP5.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23633012
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
2-(2-methylanilino)-N-phenylpyridine-3-carboxamide
CID 23632378
N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 23632609
N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide
CID 23633002
2-(2,6-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 23632545
2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632330
2-amino-3-chloro-N-(3-methyl-2-pyridinyl)benzamide
CID 115539994
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632653
2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 23632649
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 67783774

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide (CID 23633001) is 2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide is Cc1cccc(C)c1NC(=O)c1cccnc1Nc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is CCXFUVNVSOFDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-13-7-5-8-14(2)18(13)24-20(25)15-9-6-12-22-19(15)23-17-11-4-3-10-16(17)21/h3-12H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 23633001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).