5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile

C15H14N4 — CID 14256459

IUPAC5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccncc2)cnc1N1CCCC1
InChIInChI=1S/C15H14N4/c16-10-13-9-14(12-3-5-17-6-4-12)11-18-15(13)19-7-1-2-8-19/h3-6,9,11H,1-2,7-8H2
InChIKeySZUXYCMAJDTNAA-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.62
Rot. Bonds2

About 5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile

5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile (PubChem CID 14256459) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
PubChem CID14256459
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccncc2)cnc1N1CCCC1
InChIInChI=1S/C15H14N4/c16-10-13-9-14(12-3-5-17-6-4-12)11-18-15(13)19-7-1-2-8-19/h3-6,9,11H,1-2,7-8H2
InChIKeySZUXYCMAJDTNAA-UHFFFAOYSA-N
XLogP2.62
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile (CID 14256459) is 5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile is N#Cc1cc(-c2ccncc2)cnc1N1CCCC1.
What is the InChIKey of 5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The InChIKey is SZUXYCMAJDTNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-10-13-9-14(12-3-5-17-6-4-12)11-18-15(13)19-7-1-2-8-19/h3-6,9,11H,1-2,7-8H2.
What are the key properties of 5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile has a molecular weight of 250.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 14256459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).