6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide

C22H23N3O3 — CID 109162615

IUPAC6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3cc(C)ccc3C)cn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-14-5-6-15(2)18(11-14)25-22(26)16-7-10-21(23-13-16)24-17-8-9-19(27-3)20(12-17)28-4/h5-13H,1-4H3,(H,23,24)(H,25,26)
InChIKeyPCZQFOXWVUKUJH-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.71
Rot. Bonds6

About 6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide

6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109162615) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109162615
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3cc(C)ccc3C)cn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-14-5-6-15(2)18(11-14)25-22(26)16-7-10-21(23-13-16)24-17-8-9-19(27-3)20(12-17)28-4/h5-13H,1-4H3,(H,23,24)(H,25,26)
InChIKeyPCZQFOXWVUKUJH-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-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109162791
6-(2,4-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109162546
N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109162635
6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163225
N-(2-chlorophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109163378
N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109164373
6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109162280
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164382
3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
CID 113016106
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 5049567
N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109164154

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide (CID 109162615) is 6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)Nc3cc(C)ccc3C)cn2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is PCZQFOXWVUKUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-5-6-15(2)18(11-14)25-22(26)16-7-10-21(23-13-16)24-17-8-9-19(27-3)20(12-17)28-4/h5-13H,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide?
6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)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 6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109162615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).