(3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C17H22N6O — CID 125018214

IUPAC(3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@]1(CCCc2cnccn2)CCCN(c2ncccn2)C1
InChIInChI=1S/C17H22N6O/c18-15(24)17(5-1-4-14-12-19-9-10-20-14)6-2-11-23(13-17)16-21-7-3-8-22-16/h3,7-10,12H,1-2,4-6,11,13H2,(H2,18,24)/t17-/m1/s1
InChIKeyXNDFDPGFXRHDGE-QGZVFWFLSA-N
MW326.40 g/mol
LogP1.36
Rot. Bonds6

About (3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 125018214) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is (3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID125018214
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name(3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@]1(CCCc2cnccn2)CCCN(c2ncccn2)C1
InChIInChI=1S/C17H22N6O/c18-15(24)17(5-1-4-14-12-19-9-10-20-14)6-2-11-23(13-17)16-21-7-3-8-22-16/h3,7-10,12H,1-2,4-6,11,13H2,(H2,18,24)/t17-/m1/s1
InChIKeyXNDFDPGFXRHDGE-QGZVFWFLSA-N
XLogP1.36
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-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 (3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 125018214) is (3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is NC(=O)[C@]1(CCCc2cnccn2)CCCN(c2ncccn2)C1.
What is the InChIKey of (3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is XNDFDPGFXRHDGE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N6O/c18-15(24)17(5-1-4-14-12-19-9-10-20-14)6-2-11-23(13-17)16-21-7-3-8-22-16/h3,7-10,12H,1-2,4-6,11,13H2,(H2,18,24)/t17-/m1/s1.
What are the key properties of (3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 125018214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).