5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide

C21H18ClN3O2 — CID 109199329

IUPAC5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)Nc3cccc(Cl)c3C)nc2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-13-18(22)4-3-5-19(13)25-21(27)20-11-10-17(12-23-20)24-16-8-6-15(7-9-16)14(2)26/h3-12,24H,1-2H3,(H,25,27)
InChIKeyVBGBCWQHYOLOHW-UHFFFAOYSA-N
MW379.85 g/mol
LogP5.24
Rot. Bonds5

About 5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide

5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 109199329) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID109199329
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)Nc3cccc(Cl)c3C)nc2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-13-18(22)4-3-5-19(13)25-21(27)20-11-10-17(12-23-20)24-16-8-6-15(7-9-16)14(2)26/h3-12,24H,1-2H3,(H,25,27)
InChIKeyVBGBCWQHYOLOHW-UHFFFAOYSA-N
XLogP5.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.85
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 109163558
N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179356
methyl 4-[[6-[(2,3-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198302
methyl 4-[[6-[(2-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199100
N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163537
N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189031
5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109199519
2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268941
N-(4-acetylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198907
N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128462
N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109337194
N-(3-chloro-2-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267962

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide (CID 109199329) is 5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide is CC(=O)c1ccc(Nc2ccc(C(=O)Nc3cccc(Cl)c3C)nc2)cc1.
What is the InChIKey of 5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is VBGBCWQHYOLOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-18(22)4-3-5-19(13)25-21(27)20-11-10-17(12-23-20)24-16-8-6-15(7-9-16)14(2)26/h3-12,24H,1-2H3,(H,25,27).
What are the key properties of 5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide?
5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109199329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).