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

C16H22N6O2 — CID 110123503

IUPACN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(CC1(O)CCCN(c2cnccn2)C1)C(=O)c1ccn(C)n1
InChIInChI=1S/C16H22N6O2/c1-20(15(23)13-4-9-21(2)19-13)11-16(24)5-3-8-22(12-16)14-10-17-6-7-18-14/h4,6-7,9-10,24H,3,5,8,11-12H2,1-2H3
InChIKeyXMVJWKXPXXJAFU-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.31
Rot. Bonds4

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

N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 110123503) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID110123503
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(CC1(O)CCCN(c2cnccn2)C1)C(=O)c1ccn(C)n1
InChIInChI=1S/C16H22N6O2/c1-20(15(23)13-4-9-21(2)19-13)11-16(24)5-3-8-22(12-16)14-10-17-6-7-18-14/h4,6-7,9-10,24H,3,5,8,11-12H2,1-2H3
InChIKeyXMVJWKXPXXJAFU-UHFFFAOYSA-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

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Related Compounds

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124958674
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 124973541
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-methylpyrimidine-5-carboxamide
CID 110123469
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 110123575
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-4-(pyrrolidin-1-ylmethyl)benzamide
CID 124983427
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]-3-imidazol-1-yl-N-methylpropanamide
CID 124973495
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124972905
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-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 124966903

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide (CID 110123503) is N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide is CN(CC1(O)CCCN(c2cnccn2)C1)C(=O)c1ccn(C)n1.
What is the InChIKey of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is XMVJWKXPXXJAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20(15(23)13-4-9-21(2)19-13)11-16(24)5-3-8-22(12-16)14-10-17-6-7-18-14/h4,6-7,9-10,24H,3,5,8,11-12H2,1-2H3.
What are the key properties of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-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-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 110123503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).