5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid

C18H19N3O4 — CID 120685365

IUPAC5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1ccc(C2(NC(=O)c3cnc(C(=O)O)cn3)CCCC2)cc1
InChIInChI=1S/C18H19N3O4/c1-25-13-6-4-12(5-7-13)18(8-2-3-9-18)21-16(22)14-10-20-15(11-19-14)17(23)24/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)(H,23,24)
InChIKeyVECRIAQGYODRFP-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.38
Rot. Bonds5

About 5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid

5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685365) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685365
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1ccc(C2(NC(=O)c3cnc(C(=O)O)cn3)CCCC2)cc1
InChIInChI=1S/C18H19N3O4/c1-25-13-6-4-12(5-7-13)18(8-2-3-9-18)21-16(22)14-10-20-15(11-19-14)17(23)24/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)(H,23,24)
InChIKeyVECRIAQGYODRFP-UHFFFAOYSA-N
XLogP2.38
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 119760269
N-[1-(4-methoxyphenyl)cyclohexyl]-2-methylpropanamide
CID 110478522
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
N-[1-(4-methoxyphenyl)cyclobutyl]cyclopropanecarboxamide
CID 110478167
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
CID 110477390
N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 16672645
3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide
CID 110478988
4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
CID 119309997
4-(tert-butylsulfamoyl)-N-[1-(4-methoxyphenyl)cyclopentyl]benzamide
CID 60618187
5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120690311
2-hydroxy-4-methoxy-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 139011396

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid (CID 120685365) is 5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid is COc1ccc(C2(NC(=O)c3cnc(C(=O)O)cn3)CCCC2)cc1.
What is the InChIKey of 5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is VECRIAQGYODRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-25-13-6-4-12(5-7-13)18(8-2-3-9-18)21-16(22)14-10-20-15(11-19-14)17(23)24/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid?
5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).