6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide

C12H18N4O2 — CID 62045352

IUPAC6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)cn1)C1CCCNC1
InChIInChI=1S/C12H18N4O2/c1-8(9-3-2-4-13-5-9)16-12(18)10-6-15-11(17)7-14-10/h6-9,13H,2-5H2,1H3,(H,15,17)(H,16,18)
InChIKeyWEATWCWSOHFDEB-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.11
Rot. Bonds3

About 6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide

6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide (PubChem CID 62045352) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide
PubChem CID62045352
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)cn1)C1CCCNC1
InChIInChI=1S/C12H18N4O2/c1-8(9-3-2-4-13-5-9)16-12(18)10-6-15-11(17)7-14-10/h6-9,13H,2-5H2,1H3,(H,15,17)(H,16,18)
InChIKeyWEATWCWSOHFDEB-UHFFFAOYSA-N
XLogP-0.11
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide (CID 62045352) is 6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide is CC(NC(=O)c1c[nH]c(=O)cn1)C1CCCNC1.
What is the InChIKey of 6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide?
The InChIKey is WEATWCWSOHFDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(9-3-2-4-13-5-9)16-12(18)10-6-15-11(17)7-14-10/h6-9,13H,2-5H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide?
6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1-piperidin-3-ylethyl)-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 62045352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).