N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide

C13H16N6O2 — CID 129476538

IUPACN-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)c1ccn[nH]1
InChIInChI=1S/C13H16N6O2/c20-12(10-3-4-16-18-10)17-9-2-1-7-19(8-9)11-13(21)15-6-5-14-11/h3-6,9H,1-2,7-8H2,(H,15,21)(H,16,18)(H,17,20)/t9-/m0/s1
InChIKeyQVDZVUZONIUJCS-VIFPVBQESA-N
MW288.31 g/mol
LogP-0.11
Rot. Bonds3

About N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide

N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 129476538) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID129476538
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)c1ccn[nH]1
InChIInChI=1S/C13H16N6O2/c20-12(10-3-4-16-18-10)17-9-2-1-7-19(8-9)11-13(21)15-6-5-14-11/h3-6,9H,1-2,7-8H2,(H,15,21)(H,16,18)(H,17,20)/t9-/m0/s1
InChIKeyQVDZVUZONIUJCS-VIFPVBQESA-N
XLogP-0.11
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 129476469
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiophene-3-carboxamide
CID 129475720
N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-indazole-3-carboxamide
CID 167764107
2-(dimethylamino)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 129477071
4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476714
N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 129476803
5,6-dimethyl-2-oxo-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 127974631
3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
CID 129476907
1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea
CID 128967383
4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476468
N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 96568176
3-(furan-3-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide
CID 129339480

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide (CID 129476538) is N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide is O=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)c1ccn[nH]1.
What is the InChIKey of N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is QVDZVUZONIUJCS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N6O2/c20-12(10-3-4-16-18-10)17-9-2-1-7-19(8-9)11-13(21)15-6-5-14-11/h3-6,9H,1-2,7-8H2,(H,15,21)(H,16,18)(H,17,20)/t9-/m0/s1.
What are the key properties of N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide?
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 129476538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).