3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile

C14H19N5 — CID 79719645

IUPAC3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N(CC1CCNCC1)C1CC1
InChIInChI=1S/C14H19N5/c15-9-13-14(18-8-7-17-13)19(12-1-2-12)10-11-3-5-16-6-4-11/h7-8,11-12,16H,1-6,10H2
InChIKeySQYIGSOXTRWQTC-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.32
Rot. Bonds4

About 3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile

3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile (PubChem CID 79719645) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile
PubChem CID79719645
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N(CC1CCNCC1)C1CC1
InChIInChI=1S/C14H19N5/c15-9-13-14(18-8-7-17-13)19(12-1-2-12)10-11-3-5-16-6-4-11/h7-8,11-12,16H,1-6,10H2
InChIKeySQYIGSOXTRWQTC-UHFFFAOYSA-N
XLogP1.32
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile 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 3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile (CID 79719645) is 3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile is N#Cc1nccnc1N(CC1CCNCC1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile?
The InChIKey is SQYIGSOXTRWQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-9-13-14(18-8-7-17-13)19(12-1-2-12)10-11-3-5-16-6-4-11/h7-8,11-12,16H,1-6,10H2.
What are the key properties of 3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile?
3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 79719645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).