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

C13H18N4 — CID 55136840

IUPAC4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCCN2CCCC2)ccn1
InChIInChI=1S/C13H18N4/c14-11-13-10-12(4-6-16-13)15-5-3-9-17-7-1-2-8-17/h4,6,10H,1-3,5,7-9H2,(H,15,16)
InChIKeyXEXASIPFUXEAOR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.85
Rot. Bonds5

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

4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile (PubChem CID 55136840) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile
PubChem CID55136840
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCCN2CCCC2)ccn1
InChIInChI=1S/C13H18N4/c14-11-13-10-12(4-6-16-13)15-5-3-9-17-7-1-2-8-17/h4,6,10H,1-3,5,7-9H2,(H,15,16)
InChIKeyXEXASIPFUXEAOR-UHFFFAOYSA-N
XLogP1.85
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile (CID 55136840) is 4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile is N#Cc1cc(NCCCN2CCCC2)ccn1.
What is the InChIKey of 4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile?
The InChIKey is XEXASIPFUXEAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-11-13-10-12(4-6-16-13)15-5-3-9-17-7-1-2-8-17/h4,6,10H,1-3,5,7-9H2,(H,15,16).
What are the key properties of 4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile?
4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 55136840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).