N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide

C22H21N3O4 — CID 109164310

IUPACN-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(Nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cn2)c1
InChIInChI=1S/C22H21N3O4/c1-14(26)15-5-4-6-17(11-15)24-22(27)16-7-10-21(23-13-16)25-19-12-18(28-2)8-9-20(19)29-3/h4-13H,1-3H3,(H,23,25)(H,24,27)
InChIKeyVNGIUBWUCPWBQW-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.30
Rot. Bonds7

About N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide

N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide (PubChem CID 109164310) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide
PubChem CID109164310
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(Nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cn2)c1
InChIInChI=1S/C22H21N3O4/c1-14(26)15-5-4-6-17(11-15)24-22(27)16-7-10-21(23-13-16)25-19-12-18(28-2)8-9-20(19)29-3/h4-13H,1-3H3,(H,23,25)(H,24,27)
InChIKeyVNGIUBWUCPWBQW-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

N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113019982
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109164004
methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163985
6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109164323
N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109162635
6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163992
5-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245203
2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269933
6-(3,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164336
N-(3-acetylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109178248
3-acetamido-N-(3-acetylphenyl)-4-methoxybenzamide
CID 110764313

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide (CID 109164310) is N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide is COc1ccc(OC)c(Nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is VNGIUBWUCPWBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14(26)15-5-4-6-17(11-15)24-22(27)16-7-10-21(23-13-16)25-19-12-18(28-2)8-9-20(19)29-3/h4-13H,1-3H3,(H,23,25)(H,24,27).
What are the key properties of N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide?
N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-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)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109164310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).