4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile

C13H18N4 — CID 55205925

IUPAC4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile
SMILESCCCN(c1ccnc(C#N)c1)C1CCNC1
InChIInChI=1S/C13H18N4/c1-2-7-17(13-3-5-15-10-13)12-4-6-16-11(8-12)9-14/h4,6,8,13,15H,2-3,5,7,10H2,1H3
InChIKeyONWKHBMXNZVGLO-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.53
Rot. Bonds4

About 4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile

4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile (PubChem CID 55205925) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile
PubChem CID55205925
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile
SMILESCCCN(c1ccnc(C#N)c1)C1CCNC1
InChIInChI=1S/C13H18N4/c1-2-7-17(13-3-5-15-10-13)12-4-6-16-11(8-12)9-14/h4,6,8,13,15H,2-3,5,7,10H2,1H3
InChIKeyONWKHBMXNZVGLO-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile (CID 55205925) is 4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile is CCCN(c1ccnc(C#N)c1)C1CCNC1.
What is the InChIKey of 4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile?
The InChIKey is ONWKHBMXNZVGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-7-17(13-3-5-15-10-13)12-4-6-16-11(8-12)9-14/h4,6,8,13,15H,2-3,5,7,10H2,1H3.
What are the key properties of 4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile?
4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 55205925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).