N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide

C16H22N6O2 — CID 124973541

IUPACN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccnn1C
InChIInChI=1S/C16H22N6O2/c1-20(15(23)13-4-6-19-21(13)2)11-16(24)5-3-9-22(12-16)14-10-17-7-8-18-14/h4,6-8,10,24H,3,5,9,11-12H2,1-2H3/t16-/m0/s1
InChIKeyKKSPOLRSBZETBP-INIZCTEOSA-N
MW330.39 g/mol
LogP0.31
Rot. Bonds4

About N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 124973541) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID124973541
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccnn1C
InChIInChI=1S/C16H22N6O2/c1-20(15(23)13-4-6-19-21(13)2)11-16(24)5-3-9-22(12-16)14-10-17-7-8-18-14/h4,6-8,10,24H,3,5,9,11-12H2,1-2H3/t16-/m0/s1
InChIKeyKKSPOLRSBZETBP-INIZCTEOSA-N
XLogP0.31
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-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

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124958674
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 110123503
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-5-carboxamide
CID 110123469
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 110123575
4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide
CID 124960899
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110123556
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 124984347
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-(pyrrolidin-1-ylmethyl)benzamide
CID 124983427
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 124960766
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 124991776
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 124972319
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 124942401

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide (CID 124973541) is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide is CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccnn1C.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is KKSPOLRSBZETBP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20(15(23)13-4-6-19-21(13)2)11-16(24)5-3-9-22(12-16)14-10-17-7-8-18-14/h4,6-8,10,24H,3,5,9,11-12H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide?
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 124973541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).