N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide

C21H18ClN3O2 — CID 109163578

IUPACN-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(Nc3cc(Cl)ccc3C)nc2)c1
InChIInChI=1S/C21H18ClN3O2/c1-13-6-8-17(22)11-19(13)25-20-9-7-16(12-23-20)21(27)24-18-5-3-4-15(10-18)14(2)26/h3-12H,1-2H3,(H,23,25)(H,24,27)
InChIKeyYRSXOUNACDYHEX-UHFFFAOYSA-N
MW379.85 g/mol
LogP5.24
Rot. Bonds5

About N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide

N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide (PubChem CID 109163578) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
PubChem CID109163578
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(Nc3cc(Cl)ccc3C)nc2)c1
InChIInChI=1S/C21H18ClN3O2/c1-13-6-8-17(22)11-19(13)25-20-9-7-16(12-23-20)21(27)24-18-5-3-4-15(10-18)14(2)26/h3-12H,1-2H3,(H,23,25)(H,24,27)
InChIKeyYRSXOUNACDYHEX-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

methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163584
6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447
6-(5-chloro-2-methylanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109163592
N-(1,3-benzodioxol-5-yl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163587
2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268708
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
CID 113034983
N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109163462
N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128908
6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109358400
N-(5-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042675
1-[3-[[4-(5-chloro-2-methylanilino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112929961
N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109164310

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide (CID 109163578) is N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(Nc3cc(Cl)ccc3C)nc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide?
The InChIKey is YRSXOUNACDYHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-6-8-17(22)11-19(13)25-20-9-7-16(12-23-20)21(27)24-18-5-3-4-15(10-18)14(2)26/h3-12H,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide?
N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-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 N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109163578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).