6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile

C13H18N4 — CID 113222141

IUPAC6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile
SMILESCC(CNc1ccc(C#N)cn1)N1CCCC1
InChIInChI=1S/C13H18N4/c1-11(17-6-2-3-7-17)9-15-13-5-4-12(8-14)10-16-13/h4-5,10-11H,2-3,6-7,9H2,1H3,(H,15,16)
InChIKeyLDQFRZWJIXKMLF-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.85
Rot. Bonds4

About 6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile

6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile (PubChem CID 113222141) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile
PubChem CID113222141
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile
SMILESCC(CNc1ccc(C#N)cn1)N1CCCC1
InChIInChI=1S/C13H18N4/c1-11(17-6-2-3-7-17)9-15-13-5-4-12(8-14)10-16-13/h4-5,10-11H,2-3,6-7,9H2,1H3,(H,15,16)
InChIKeyLDQFRZWJIXKMLF-UHFFFAOYSA-N
XLogP1.85
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-pyrrolidin-1-ylpropylamino)pyridine-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

Related Compounds

6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile
CID 133289535
6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile
CID 51300917
5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899460
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile
CID 64541282
3-bromo-4-(2-piperidin-1-ylpropylamino)benzonitrile
CID 82797280
6-[[(2S)-2-hydroxy-3,3-dimethylbutyl]amino]pyridine-3-carbonitrile
CID 95623512
3-chloro-4-(2-piperidin-1-ylpropylamino)benzonitrile
CID 63093620
6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile
CID 60502185
6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile
CID 113234230
3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 114287768
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile (CID 113222141) is 6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile is CC(CNc1ccc(C#N)cn1)N1CCCC1.
What is the InChIKey of 6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile?
The InChIKey is LDQFRZWJIXKMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11(17-6-2-3-7-17)9-15-13-5-4-12(8-14)10-16-13/h4-5,10-11H,2-3,6-7,9H2,1H3,(H,15,16).
What are the key properties of 6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile?
6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 113222141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).