N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide

C13H14N4O2S — CID 896565

IUPACN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cnccn2)c1C(N)=O
InChIInChI=1S/C13H14N4O2S/c1-3-8-7(2)20-13(10(8)11(14)18)17-12(19)9-6-15-4-5-16-9/h4-6H,3H2,1-2H3,(H2,14,18)(H,17,19)
InChIKeyNHALGZGVCJLLMA-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.76
Rot. Bonds4

About N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide

N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide (PubChem CID 896565) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide
PubChem CID896565
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cnccn2)c1C(N)=O
InChIInChI=1S/C13H14N4O2S/c1-3-8-7(2)20-13(10(8)11(14)18)17-12(19)9-6-15-4-5-16-9/h4-6H,3H2,1-2H3,(H2,14,18)(H,17,19)
InChIKeyNHALGZGVCJLLMA-UHFFFAOYSA-N
XLogP1.76
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide (CID 896565) is N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide is CCc1c(C)sc(NC(=O)c2cnccn2)c1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide?
The InChIKey is NHALGZGVCJLLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-3-8-7(2)20-13(10(8)11(14)18)17-12(19)9-6-15-4-5-16-9/h4-6H,3H2,1-2H3,(H2,14,18)(H,17,19).
What are the key properties of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide?
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 896565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).