3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile

C14H10N4 — CID 62894169

IUPAC3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cccnc2C#N)cc1
InChIInChI=1S/C14H10N4/c15-8-11-3-5-13(6-4-11)18-10-12-2-1-7-17-14(12)9-16/h1-7,18H,10H2
InChIKeyAEFWSWQMZJJWJG-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.44
Rot. Bonds3

About 3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile

3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile (PubChem CID 62894169) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
PubChem CID62894169
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cccnc2C#N)cc1
InChIInChI=1S/C14H10N4/c15-8-11-3-5-13(6-4-11)18-10-12-2-1-7-17-14(12)9-16/h1-7,18H,10H2
InChIKeyAEFWSWQMZJJWJG-UHFFFAOYSA-N
XLogP2.44
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-cyanoanilino)methyl]pyridine-2-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

3-[(4-propan-2-ylanilino)methyl]pyridine-2-carbonitrile
CID 55127917
3-[(4-butylanilino)methyl]pyridine-2-carbonitrile
CID 62893497
3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile
CID 104848705
3-[(3-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 55128348
4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile
CID 62951583
3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile
CID 62895867
3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile
CID 62895073
3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile
CID 55128109
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile
CID 55128443
3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894480
3-[(4-bromo-2,5-difluoroanilino)methyl]pyridine-2-carbonitrile
CID 107610894

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile (CID 62894169) is 3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile is N#Cc1ccc(NCc2cccnc2C#N)cc1.
What is the InChIKey of 3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is AEFWSWQMZJJWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-8-11-3-5-13(6-4-11)18-10-12-2-1-7-17-14(12)9-16/h1-7,18H,10H2.
What are the key properties of 3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile?
3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62894169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).