2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile

C13H11N3O — CID 107735136

IUPAC2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile
SMILESCN(c1ccc(O)cc1)c1ncccc1C#N
InChIInChI=1S/C13H11N3O/c1-16(11-4-6-12(17)7-5-11)13-10(9-14)3-2-8-15-13/h2-8,17H,1H3
InChIKeyYRDQCCHLZRRTMU-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.43
Rot. Bonds2

About 2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile

2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile (PubChem CID 107735136) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile
PubChem CID107735136
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile
SMILESCN(c1ccc(O)cc1)c1ncccc1C#N
InChIInChI=1S/C13H11N3O/c1-16(11-4-6-12(17)7-5-11)13-10(9-14)3-2-8-15-13/h2-8,17H,1H3
InChIKeyYRDQCCHLZRRTMU-UHFFFAOYSA-N
XLogP2.43
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxy-N-methylanilino)pyridine-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-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile
CID 62002258
2-(diethylamino)pyridine-3-carbonitrile
CID 10012430
2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile
CID 107933214
2-(N-ethylanilino)pyridine-3-carbonitrile
CID 24708158
2-[2-aminoethyl(ethyl)amino]pyridine-3-carbonitrile
CID 114900544
2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile
CID 107735142
4-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]benzoic acid
CID 107056589
2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile
CID 78958811
5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 62983158
ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate
CID 62983308
2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile
CID 39772559
2-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]pyridine-3-carbonitrile
CID 133381071

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile (CID 107735136) is 2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile is CN(c1ccc(O)cc1)c1ncccc1C#N.
What is the InChIKey of 2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile?
The InChIKey is YRDQCCHLZRRTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-16(11-4-6-12(17)7-5-11)13-10(9-14)3-2-8-15-13/h2-8,17H,1H3.
What are the key properties of 2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile?
2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 107735136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).