3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid

C13H17N3O3 — CID 53270971

IUPAC3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCN(C(=O)c1nccnc1C(=O)O)C1CCCCC1
InChIInChI=1S/C13H17N3O3/c1-16(9-5-3-2-4-6-9)12(17)10-11(13(18)19)15-8-7-14-10/h7-9H,2-6H2,1H3,(H,18,19)
InChIKeyASJRVPGFLKFSPY-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.58
Rot. Bonds3

About 3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid

3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 53270971) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID53270971
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCN(C(=O)c1nccnc1C(=O)O)C1CCCCC1
InChIInChI=1S/C13H17N3O3/c1-16(9-5-3-2-4-6-9)12(17)10-11(13(18)19)15-8-7-14-10/h7-9H,2-6H2,1H3,(H,18,19)
InChIKeyASJRVPGFLKFSPY-UHFFFAOYSA-N
XLogP1.58
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614404
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558469
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
3-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]pyrazine-2-carboxamide
CID 119132594
3-cyclohexyloxypyrazine-2-carboxylic acid
CID 62702060
N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 63037212
N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574966
4-amino-N-cycloheptyl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075731
N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 86223211

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid (CID 53270971) is 3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid is CN(C(=O)c1nccnc1C(=O)O)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is ASJRVPGFLKFSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16(9-5-3-2-4-6-9)12(17)10-11(13(18)19)15-8-7-14-10/h7-9H,2-6H2,1H3,(H,18,19).
What are the key properties of 3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 53270971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).