N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide

C20H18ClN3O — CID 23632609

IUPACN-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide
SMILESCc1cccc(C)c1Nc1ncccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O/c1-13-5-3-6-14(2)18(13)24-19-17(7-4-12-22-19)20(25)23-16-10-8-15(21)9-11-16/h3-12H,1-2H3,(H,22,24)(H,23,25)
InChIKeyVPKXJWREHOCNAN-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.35
Rot. Bonds4

About N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide

N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide (PubChem CID 23632609) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide
PubChem CID23632609
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide
SMILESCc1cccc(C)c1Nc1ncccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O/c1-13-5-3-6-14(2)18(13)24-19-17(7-4-12-22-19)20(25)23-16-10-8-15(21)9-11-16/h3-12H,1-2H3,(H,22,24)(H,23,25)
InChIKeyVPKXJWREHOCNAN-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-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597
N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23633012
2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 23633001
N-(4-chlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632593
2-(2-methylanilino)-N-phenylpyridine-3-carboxamide
CID 23632378
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
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-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide (CID 23632609) is N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide is Cc1cccc(C)c1Nc1ncccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is VPKXJWREHOCNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-13-5-3-6-14(2)18(13)24-19-17(7-4-12-22-19)20(25)23-16-10-8-15(21)9-11-16/h3-12H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide?
N-(4-chlorophenyl)-2-(2,6-dimethylanilino)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 N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 23632609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).