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

C14H10N4 — CID 63881092

IUPAC4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2ccnc(C#N)c2)cc1
InChIInChI=1S/C14H10N4/c15-8-11-1-3-13(4-2-11)18-10-12-5-6-17-14(7-12)9-16/h1-7,18H,10H2
InChIKeyKLFYXBMOMNMNAJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.44
Rot. Bonds3

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

4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile (PubChem CID 63881092) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
PubChem CID63881092
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2ccnc(C#N)c2)cc1
InChIInChI=1S/C14H10N4/c15-8-11-1-3-13(4-2-11)18-10-12-5-6-17-14(7-12)9-16/h1-7,18H,10H2
InChIKeyKLFYXBMOMNMNAJ-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 4-[(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

4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 63887670
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile
CID 62925693
4-[(4-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 63888074
4-[(4-butylanilino)methyl]pyridine-2-carbonitrile
CID 63880716
4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63881509
4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile
CID 66352811
4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile
CID 103826035
4-[(3-bromo-5-methylanilino)methyl]pyridine-2-carbonitrile
CID 104937835
4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 113285870
4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63883271
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile (CID 63881092) is 4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile is N#Cc1ccc(NCc2ccnc(C#N)c2)cc1.
What is the InChIKey of 4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is KLFYXBMOMNMNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-8-11-1-3-13(4-2-11)18-10-12-5-6-17-14(7-12)9-16/h1-7,18H,10H2.
What are the key properties of 4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile?
4-[(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 4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63881092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).