N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide

C22H21N3O4 — CID 109222033

IUPACN-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)Nc3cccc(C(C)=O)c3)c2)cc1OC
InChIInChI=1S/C22H21N3O4/c1-14(26)15-5-4-6-16(11-15)25-22(27)19-12-18(9-10-23-19)24-17-7-8-20(28-2)21(13-17)29-3/h4-13H,1-3H3,(H,23,24)(H,25,27)
InChIKeyDJWPWGMUPIIMMS-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.30
Rot. Bonds7

About N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide

N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide (PubChem CID 109222033) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide
PubChem CID109222033
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)Nc3cccc(C(C)=O)c3)c2)cc1OC
InChIInChI=1S/C22H21N3O4/c1-14(26)15-5-4-6-16(11-15)25-22(27)19-12-18(9-10-23-19)24-17-7-8-20(28-2)21(13-17)29-3/h4-13H,1-3H3,(H,23,24)(H,25,27)
InChIKeyDJWPWGMUPIIMMS-UHFFFAOYSA-N
XLogP4.30
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109222036
N-(3-acetylphenyl)-4-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
CID 109221420
N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109359259
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
methyl 3-[[4-(4-acetylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109222174
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220749
4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220006
N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
CID 109220583
4-(3,4-dimethoxyanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220745
4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109221907
4-(3-chloro-4-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218768
2-N-(3-acetylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093072

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide (CID 109222033) is N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide is COc1ccc(Nc2ccnc(C(=O)Nc3cccc(C(C)=O)c3)c2)cc1OC.
What is the InChIKey of N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide?
The InChIKey is DJWPWGMUPIIMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14(26)15-5-4-6-16(11-15)25-22(27)19-12-18(9-10-23-19)24-17-7-8-20(28-2)21(13-17)29-3/h4-13H,1-3H3,(H,23,24)(H,25,27).
What are the key properties of N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide?
N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109222033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).