5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide

C11H16ClN3O — CID 107372186

IUPAC5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide
SMILESCCCC(C)(C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H16ClN3O/c1-4-5-11(2,3)15-10(16)8-6-14-9(12)7-13-8/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyUFKAEGZITHYGNM-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.44
Rot. Bonds4

About 5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide

5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide (PubChem CID 107372186) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide
PubChem CID107372186
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide
SMILESCCCC(C)(C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H16ClN3O/c1-4-5-11(2,3)15-10(16)8-6-14-9(12)7-13-8/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyUFKAEGZITHYGNM-UHFFFAOYSA-N
XLogP2.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid
CID 107371615
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate
CID 107371904
5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689751
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113231389
5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107258493
5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 114295004
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374127
5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
CID 103803259
5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide
CID 113264996
5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 107371744

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide (CID 107372186) is 5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide is CCCC(C)(C)NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide?
The InChIKey is UFKAEGZITHYGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-4-5-11(2,3)15-10(16)8-6-14-9(12)7-13-8/h6-7H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide?
5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107372186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).