N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide

C22H23N3O3 — CID 109162635

IUPACN-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(Nc3ccc(C)c(C)c3)nc2)c1
InChIInChI=1S/C22H23N3O3/c1-14-5-7-17(11-15(14)2)24-21-10-6-16(13-23-21)22(26)25-19-12-18(27-3)8-9-20(19)28-4/h5-13H,1-4H3,(H,23,24)(H,25,26)
InChIKeyPVVGXZLSDCNEBQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.71
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide

N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide (PubChem CID 109162635) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide
PubChem CID109162635
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(Nc3ccc(C)c(C)c3)nc2)c1
InChIInChI=1S/C22H23N3O3/c1-14-5-7-17(11-15(14)2)24-21-10-6-16(13-23-21)22(26)25-19-12-18(27-3)8-9-20(19)28-4/h5-13H,1-4H3,(H,23,24)(H,25,26)
InChIKeyPVVGXZLSDCNEBQ-UHFFFAOYSA-N
XLogP4.71
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164336
6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162615
methyl 4-[[6-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162644
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108
6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
CID 109160931
6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109164323
6-(3,4-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109162791
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034626
N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109164310
6-(2,4-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109162546
N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158252

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide (CID 109162635) is N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc(Nc3ccc(C)c(C)c3)nc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is PVVGXZLSDCNEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-5-7-17(11-15(14)2)24-21-10-6-16(13-23-21)22(26)25-19-12-18(27-3)8-9-20(19)28-4/h5-13H,1-4H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109162635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).