(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

Related Compounds

(3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide
CID 125007457
1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 110090181
(3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 124946791
1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 110258311
(3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide
CID 125013693
2-(3-pyrazin-2-ylpropyl)piperidine-2-carboxamide
CID 73440335
(2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid
CID 95804911
1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide
CID 125012481
(3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 95827419
(2R)-1-(2-hydroxyethyl)-N-methyl-2-(3-pyrazin-2-ylpropyl)pyrrolidine-2-carboxamide
CID 125003817
3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid
CID 70710542
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354

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).