4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile

C16H17N3O — CID 81060534

IUPAC4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccc(Nc2cc(C)nc(C)c2C#N)cc1C
InChIInChI=1S/C16H17N3O/c1-10-7-13(5-6-16(10)20-4)19-15-8-11(2)18-12(3)14(15)9-17/h5-8H,1-4H3,(H,18,19)
InChIKeySOBFWFJOASKUEH-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.63
Rot. Bonds3

About 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile

4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060534) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060534
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccc(Nc2cc(C)nc(C)c2C#N)cc1C
InChIInChI=1S/C16H17N3O/c1-10-7-13(5-6-16(10)20-4)19-15-8-11(2)18-12(3)14(15)9-17/h5-8H,1-4H3,(H,18,19)
InChIKeySOBFWFJOASKUEH-UHFFFAOYSA-N
XLogP3.63
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Bis[3-(4-methylphenoxy)propyl]pyridin-4-amine
CID 71605377
2-(4-Methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 750163
N-(4-methoxyphenyl)-2-methylquinolin-4-amine hydrochloride
CID 2789786
6-[Cyano-[2-(trifluoromethoxy)phenyl]methyl]-3-methylpyridine-2-carbonitrile
CID 56604825
(NE)-N-[1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethylidene]hydroxylamine
CID 9971182
3-Amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile
CID 671953
N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 659958
6-(2-Methoxyphenyl)pyridine-2-carbonitrile
CID 15810937
4-(3-Iodo-4-methoxyanilino)quinoline-2-carbonitrile
CID 146469199
N-[3-(5-cyano-6-methoxy-2,4-dimethylpyridin-3-yl)phenyl]acetamide
CID 56701009
2,6-diphenyl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 11531564
3-fluoro-N-(4-methoxyphenyl)-2,6-diphenylpyridin-4-amine
CID 49805570

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile (CID 81060534) is 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile is COc1ccc(Nc2cc(C)nc(C)c2C#N)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is SOBFWFJOASKUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-7-13(5-6-16(10)20-4)19-15-8-11(2)18-12(3)14(15)9-17/h5-8H,1-4H3,(H,18,19).
What are the key properties of 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).