2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

C17H19N3O — CID 791043

IUPAC2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(Nc2cc(C)ccc2C)c1C#N
InChIInChI=1S/C17H19N3O/c1-11-5-6-12(2)16(7-11)20-17-15(9-18)14(10-21-4)8-13(3)19-17/h5-8H,10H2,1-4H3,(H,19,20)
InChIKeyOMBWTRSLVDMIAK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.77
Rot. Bonds4

About 2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 791043) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
PubChem CID791043
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(Nc2cc(C)ccc2C)c1C#N
InChIInChI=1S/C17H19N3O/c1-11-5-6-12(2)16(7-11)20-17-15(9-18)14(10-21-4)8-13(3)19-17/h5-8H,10H2,1-4H3,(H,19,20)
InChIKeyOMBWTRSLVDMIAK-UHFFFAOYSA-N
XLogP3.77
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CID 791043) is 2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is COCc1cc(C)nc(Nc2cc(C)ccc2C)c1C#N.
What is the InChIKey of 2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is OMBWTRSLVDMIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-5-6-12(2)16(7-11)20-17-15(9-18)14(10-21-4)8-13(3)19-17/h5-8H,10H2,1-4H3,(H,19,20).
What are the key properties of 2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 791043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).