2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile

C12H10N4 — CID 29036481

IUPAC2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2cccnc2)c1
InChIInChI=1S/C12H10N4/c13-7-10-3-5-15-12(6-10)16-9-11-2-1-4-14-8-11/h1-6,8H,9H2,(H,15,16)
InChIKeyDKGVFIBCVVCYMD-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.96
Rot. Bonds3

About 2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile

2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile (PubChem CID 29036481) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile
PubChem CID29036481
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2cccnc2)c1
InChIInChI=1S/C12H10N4/c13-7-10-3-5-15-12(6-10)16-9-11-2-1-4-14-8-11/h1-6,8H,9H2,(H,15,16)
InChIKeyDKGVFIBCVVCYMD-UHFFFAOYSA-N
XLogP1.96
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(pyridin-3-ylmethylamino)pyridine-4-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-[[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112860865
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
CID 29037275
2-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 24702433
2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile
CID 55150359
2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 62880130
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
4-[[4-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112919557
6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 118029133
4-[[(4-cyano-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 24692112
4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine
CID 69183762

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile (CID 29036481) is 2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NCc2cccnc2)c1.
What is the InChIKey of 2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile?
The InChIKey is DKGVFIBCVVCYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-7-10-3-5-15-12(6-10)16-9-11-2-1-4-14-8-11/h1-6,8H,9H2,(H,15,16).
What are the key properties of 2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile?
2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 29036481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).