2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile

C15H12N4 — CID 133498376

IUPAC2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1NCCc1ccccn1
InChIInChI=1S/C15H12N4/c16-10-12-4-3-5-13(11-17)15(12)19-9-7-14-6-1-2-8-18-14/h1-6,8,19H,7,9H2
InChIKeyNCDSKYITLFBKPI-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.48
Rot. Bonds4

About 2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile

2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile (PubChem CID 133498376) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile
PubChem CID133498376
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1NCCc1ccccn1
InChIInChI=1S/C15H12N4/c16-10-12-4-3-5-13(11-17)15(12)19-9-7-14-6-1-2-8-18-14/h1-6,8,19H,7,9H2
InChIKeyNCDSKYITLFBKPI-UHFFFAOYSA-N
XLogP2.48
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile 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

3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile
CID 78981152
3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile
CID 82816791
2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 24710652
2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
CID 143015963
3-(2-pyridin-2-ylethylamino)phenol
CID 15597531
2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 71871162
3-methyl-2-[2-(1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 107106915
3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile
CID 79376309
2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline
CID 61076812
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
3-amino-2-(2-pyridin-2-ylethylamino)benzamide
CID 112577927
1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile (CID 133498376) is 2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1NCCc1ccccn1.
What is the InChIKey of 2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile?
The InChIKey is NCDSKYITLFBKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c16-10-12-4-3-5-13(11-17)15(12)19-9-7-14-6-1-2-8-18-14/h1-6,8,19H,7,9H2.
What are the key properties of 2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile?
2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 133498376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).