4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide

C21H18ClN3O3 — CID 109221402

IUPAC4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(Nc2ccc(C(C)=O)cc2)ccn1
InChIInChI=1S/C21H18ClN3O3/c1-13(26)14-3-6-16(7-4-14)24-17-9-10-23-19(12-17)21(27)25-18-11-15(22)5-8-20(18)28-2/h3-12H,1-2H3,(H,23,24)(H,25,27)
InChIKeyBDMFJSUJGKTXMV-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.94
Rot. Bonds6

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

4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 109221402) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
PubChem CID109221402
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(Nc2ccc(C(C)=O)cc2)ccn1
InChIInChI=1S/C21H18ClN3O3/c1-13(26)14-3-6-16(7-4-14)24-17-9-10-23-19(12-17)21(27)25-18-11-15(22)5-8-20(18)28-2/h3-12H,1-2H3,(H,23,24)(H,25,27)
InChIKeyBDMFJSUJGKTXMV-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
4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221419
4-(4-acetamidoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221861
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
4-(4-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109221059
4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221381
N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide
CID 109177842
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092735
N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109222033
N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219162
N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide
CID 109129093
N-(4-chloro-2-methylphenyl)-4-(2-methoxyanilino)pyridine-2-carboxamide
CID 109221193

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide (CID 109221402) is 4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(Nc2ccc(C(C)=O)cc2)ccn1.
What is the InChIKey of 4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is BDMFJSUJGKTXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-13(26)14-3-6-16(7-4-14)24-17-9-10-23-19(12-17)21(27)25-18-11-15(22)5-8-20(18)28-2/h3-12H,1-2H3,(H,23,24)(H,25,27).
What are the key properties of 4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide?
4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)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 4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109221402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).