5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid

C11H13N3O3 — CID 120689052

IUPAC5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC1CC(NC(=O)c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C11H13N3O3/c1-6-2-7(3-6)14-10(15)8-4-13-9(5-12-8)11(16)17/h4-7H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyADFIEUYMEIGOAQ-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.70
Rot. Bonds3

About 5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid

5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120689052) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120689052
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC1CC(NC(=O)c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C11H13N3O3/c1-6-2-7(3-6)14-10(15)8-4-13-9(5-12-8)11(16)17/h4-7H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyADFIEUYMEIGOAQ-UHFFFAOYSA-N
XLogP0.70
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
5-amino-N-(3,5-dimethylcyclohexyl)pyridine-2-carboxamide
CID 81316470
6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid
CID 115910448
5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid
CID 64732761
5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685133
5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120692079
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
CID 107240375
N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275249
5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120695909
N-(3,5-dimethylcyclohexyl)-4-(methylamino)pyridine-2-carboxamide
CID 64733335
5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 115910451
3-[(3-methylcyclobutyl)carbamoyl]benzoic acid
CID 115910449

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120689052) is 5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid is CC1CC(NC(=O)c2cnc(C(=O)O)cn2)C1.
What is the InChIKey of 5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is ADFIEUYMEIGOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-2-7(3-6)14-10(15)8-4-13-9(5-12-8)11(16)17/h4-7H,2-3H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120689052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).