4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide

C12H17N3O2 — CID 143536553

IUPAC4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide
SMILESCNC(=O)c1nccn(C2CCCCC2)c1=O
InChIInChI=1S/C12H17N3O2/c1-13-11(16)10-12(17)15(8-7-14-10)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,13,16)
InChIKeyMRXKEDAHFFXOPG-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.11
Rot. Bonds2

About 4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide

4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide (PubChem CID 143536553) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide
PubChem CID143536553
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide
SMILESCNC(=O)c1nccn(C2CCCCC2)c1=O
InChIInChI=1S/C12H17N3O2/c1-13-11(16)10-12(17)15(8-7-14-10)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,13,16)
InChIKeyMRXKEDAHFFXOPG-UHFFFAOYSA-N
XLogP1.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide?
The IUPAC name of 4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide (CID 143536553) is 4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide.
What is the SMILES notation for 4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide?
The canonical SMILES for 4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide is CNC(=O)c1nccn(C2CCCCC2)c1=O.
What is the InChIKey of 4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide?
The InChIKey is MRXKEDAHFFXOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-11(16)10-12(17)15(8-7-14-10)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,13,16).
What are the key properties of 4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide?
4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-methyl-3-oxopyrazine-2-carboxamide is sourced from PubChem (CID 143536553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).