3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile

C13H18N4 — CID 114287768

IUPAC3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
SMILESCC(CNc1cnccc1C#N)N1CCCC1
InChIInChI=1S/C13H18N4/c1-11(17-6-2-3-7-17)9-16-13-10-15-5-4-12(13)8-14/h4-5,10-11,16H,2-3,6-7,9H2,1H3
InChIKeyKFIGFWNQSSHGIF-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.85
Rot. Bonds4

About 3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile

3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile (PubChem CID 114287768) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
PubChem CID114287768
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
SMILESCC(CNc1cnccc1C#N)N1CCCC1
InChIInChI=1S/C13H18N4/c1-11(17-6-2-3-7-17)9-16-13-10-15-5-4-12(13)8-14/h4-5,10-11,16H,2-3,6-7,9H2,1H3
InChIKeyKFIGFWNQSSHGIF-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

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Related Compounds

3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
CID 115883746
3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile
CID 136534742
3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 107058127
4-methoxy-2-(2-piperidin-1-ylpropylamino)benzonitrile
CID 81299428
3-(2-hydroxypentylamino)pyridine-4-carbonitrile
CID 115883782
3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile
CID 130963996
6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile
CID 113222141
3-bromo-4-(2-piperidin-1-ylpropylamino)benzonitrile
CID 82797280
2-bromo-6-(2-pyrrolidin-1-ylpropylamino)benzonitrile
CID 114881241
3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile
CID 115360433
3-chloro-4-(2-piperidin-1-ylpropylamino)benzonitrile
CID 63093620
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 114942452

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile (CID 114287768) is 3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile is CC(CNc1cnccc1C#N)N1CCCC1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile?
The InChIKey is KFIGFWNQSSHGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11(17-6-2-3-7-17)9-16-13-10-15-5-4-12(13)8-14/h4-5,10-11,16H,2-3,6-7,9H2,1H3.
What are the key properties of 3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile?
3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-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 3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 114287768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).