4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide

C14H21N3O2 — CID 58988010

IUPAC4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1nccn(C2CCCCC2)c1=O
InChIInChI=1S/C14H21N3O2/c1-10(2)16-13(18)12-14(19)17(9-8-15-12)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,16,18)
InChIKeyCYKXIWYMLULZDI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.89
Rot. Bonds3

About 4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide

4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 58988010) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID58988010
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1nccn(C2CCCCC2)c1=O
InChIInChI=1S/C14H21N3O2/c1-10(2)16-13(18)12-14(19)17(9-8-15-12)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,16,18)
InChIKeyCYKXIWYMLULZDI-UHFFFAOYSA-N
XLogP1.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide (CID 58988010) is 4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide is CC(C)NC(=O)c1nccn(C2CCCCC2)c1=O.
What is the InChIKey of 4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is CYKXIWYMLULZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)16-13(18)12-14(19)17(9-8-15-12)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide?
4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 58988010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).