2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile

C15H15N3O — CID 107735200

IUPAC2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N(C)c2cccc(O)c2)n1
InChIInChI=1S/C15H15N3O/c1-10-7-11(2)17-15(14(10)9-16)18(3)12-5-4-6-13(19)8-12/h4-8,19H,1-3H3
InChIKeyCSCKILNUXIOGAV-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.04
Rot. Bonds2

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

2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 107735200) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID107735200
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N(C)c2cccc(O)c2)n1
InChIInChI=1S/C15H15N3O/c1-10-7-11(2)17-15(14(10)9-16)18(3)12-5-4-6-13(19)8-12/h4-8,19H,1-3H3
InChIKeyCSCKILNUXIOGAV-UHFFFAOYSA-N
XLogP3.04
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-hydroxy-N-methylanilino)-4,6-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-Amino-6-(4-hydroxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 791050
2-Fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol
CID 134158355
N-(3-cyano-4,6-dimethylpyridin-2-yl)-N-(3-methoxyphenyl)acetamide
CID 656367
2-[4-(3-Methoxy-phenyl)-piperazin-1-yl]-4,6-dimethyl-nicotinonitrile
CID 1448140
4-[6-(Isobutyl-methyl-amino)-4-phenyl-pyridin-2-yl]-phenol
CID 135987671
2-[(3-Methoxyphenyl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 750162
2-(((6-Methylpyridin-2-yl)amino)methyl)phenol
CID 653133
2,4,5-trimethyl-6-(N-methylanilino)pyridin-3-ol
CID 124107087
2-Amino-4-cyclopropyl-6-(4-hydroxyphenyl)nicotinonitrile
CID 136036175
2-amino-1-(4-hydroxyphenyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile
CID 16227660
5-Fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile
CID 134187354
2-Ethyl-5-fluoro-6-[(4-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 156372345

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile (CID 107735200) is 2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N(C)c2cccc(O)c2)n1.
What is the InChIKey of 2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is CSCKILNUXIOGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-7-11(2)17-15(14(10)9-16)18(3)12-5-4-6-13(19)8-12/h4-8,19H,1-3H3.
What are the key properties of 2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 107735200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).