N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide

C21H18ClN3O3 — CID 109199643

IUPACN-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)Nc2cccc(C(C)=O)c2)nc1
InChIInChI=1S/C21H18ClN3O3/c1-13(26)14-4-3-5-16(10-14)25-21(27)18-8-7-17(12-23-18)24-19-11-15(22)6-9-20(19)28-2/h3-12,24H,1-2H3,(H,25,27)
InChIKeyWCCHJEHVIZSROG-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.94
Rot. Bonds6

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

N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide (PubChem CID 109199643) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
PubChem CID109199643
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)Nc2cccc(C(C)=O)c2)nc1
InChIInChI=1S/C21H18ClN3O3/c1-13(26)14-4-3-5-16(10-14)25-21(27)18-8-7-17(12-23-18)24-19-11-15(22)6-9-20(19)28-2/h3-12,24H,1-2H3,(H,25,27)
InChIKeyWCCHJEHVIZSROG-UHFFFAOYSA-N
XLogP4.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-4-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
CID 109221420
N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200228
5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293322
N-(4-acetylphenyl)-5-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109200201
N-(3-acetylphenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109199996
N-(3-bromophenyl)-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109199748
N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide
CID 109197257
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109199580
methyl 3-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199300
N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide
CID 109129093
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide (CID 109199643) is N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide is COc1ccc(Cl)cc1Nc1ccc(C(=O)Nc2cccc(C(C)=O)c2)nc1.
What is the InChIKey of N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide?
The InChIKey is WCCHJEHVIZSROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-13(26)14-4-3-5-16(10-14)25-21(27)18-8-7-17(12-23-18)24-19-11-15(22)6-9-20(19)28-2/h3-12,24H,1-2H3,(H,25,27).
What are the key properties of N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide?
N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109199643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).