5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid

C14H19N3O3 — CID 120684743

IUPAC5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCCN(C(=O)c1cnc(C(=O)O)cn1)C1CCCCC1
InChIInChI=1S/C14H19N3O3/c1-2-17(10-6-4-3-5-7-10)13(18)11-8-16-12(9-15-11)14(19)20/h8-10H,2-7H2,1H3,(H,19,20)
InChIKeyLDOAZWPSILDYSW-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.97
Rot. Bonds4

About 5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid

5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120684743) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120684743
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCCN(C(=O)c1cnc(C(=O)O)cn1)C1CCCCC1
InChIInChI=1S/C14H19N3O3/c1-2-17(10-6-4-3-5-7-10)13(18)11-8-16-12(9-15-11)14(19)20/h8-10H,2-7H2,1H3,(H,19,20)
InChIKeyLDOAZWPSILDYSW-UHFFFAOYSA-N
XLogP1.97
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-ethyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374221
5-(aminomethyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 63723531
3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76978678
N-(4-aminocyclohexyl)-N-ethyl-5-methylpyrazine-2-carboxamide
CID 79115750
3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369216
N-cyclopentyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 63037041
N,N-dicyclopentyl-5-methylpyrazine-2-carboxamide
CID 86768809
6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide
CID 103187282
N-cyclopentyl-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 52568354
6-chloro-N-cyclohexyl-N-ethylpyridazine-3-carboxamide
CID 54927092
5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 120820468
2-N-cyclohexyl-2-N-(2-phenylethyl)pyrazine-2,5-dicarboxamide
CID 137338224

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120684743) is 5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid is CCN(C(=O)c1cnc(C(=O)O)cn1)C1CCCCC1.
What is the InChIKey of 5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is LDOAZWPSILDYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-17(10-6-4-3-5-7-10)13(18)11-8-16-12(9-15-11)14(19)20/h8-10H,2-7H2,1H3,(H,19,20).
What are the key properties of 5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120684743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).