5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid

C13H17N3O3 — CID 120692079

IUPAC5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC1(C)CCCC1NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C13H17N3O3/c1-13(2)5-3-4-10(13)16-11(17)8-6-15-9(7-14-8)12(18)19/h6-7,10H,3-5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBFKSKCXBLXTKPY-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.48
Rot. Bonds3

About 5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid

5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120692079) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120692079
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC1(C)CCCC1NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C13H17N3O3/c1-13(2)5-3-4-10(13)16-11(17)8-6-15-9(7-14-8)12(18)19/h6-7,10H,3-5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBFKSKCXBLXTKPY-UHFFFAOYSA-N
XLogP1.48
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylcyclopentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376214
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid
CID 79872488
N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide
CID 115498008
N-(2,2-dimethylcyclopentyl)-6-hydrazinylpyridine-3-carboxamide
CID 79872506
N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79878341
8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide
CID 167795548
5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685796
5-chloro-N-(2,2-dimethylcyclopentyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924065
5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689052
N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
CID 79833930
3-[(2,2-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 79872227

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120692079) is 5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid is CC1(C)CCCC1NC(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is BFKSKCXBLXTKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(2)5-3-4-10(13)16-11(17)8-6-15-9(7-14-8)12(18)19/h6-7,10H,3-5H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120692079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).