2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide

C14H19N5O — CID 63343846

IUPAC2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCC(C#N)N1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C14H19N5O/c1-2-11(10-15)18-6-8-19(9-7-18)14-12(13(16)20)4-3-5-17-14/h3-5,11H,2,6-9H2,1H3,(H2,16,20)
InChIKeyYGZYUAZUBXBNNY-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.60
Rot. Bonds4

About 2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide

2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 63343846) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID63343846
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCC(C#N)N1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C14H19N5O/c1-2-11(10-15)18-6-8-19(9-7-18)14-12(13(16)20)4-3-5-17-14/h3-5,11H,2,6-9H2,1H3,(H2,16,20)
InChIKeyYGZYUAZUBXBNNY-UHFFFAOYSA-N
XLogP0.60
TPSA86.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide 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 2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide (CID 63343846) is 2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide is CCC(C#N)N1CCN(c2ncccc2C(N)=O)CC1.
What is the InChIKey of 2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is YGZYUAZUBXBNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-11(10-15)18-6-8-19(9-7-18)14-12(13(16)20)4-3-5-17-14/h3-5,11H,2,6-9H2,1H3,(H2,16,20).
What are the key properties of 2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide?
2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 63343846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).