5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid

C11H13N3O3 — CID 120685133

IUPAC5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCC1CC1CNC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C11H13N3O3/c1-6-2-7(6)3-14-10(15)8-4-13-9(5-12-8)11(16)17/h4-7H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyDDTMJVDKNVEWBK-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.56
Rot. Bonds4

About 5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid

5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685133) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685133
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCC1CC1CNC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C11H13N3O3/c1-6-2-7(6)3-14-10(15)8-4-13-9(5-12-8)11(16)17/h4-7H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyDDTMJVDKNVEWBK-UHFFFAOYSA-N
XLogP0.56
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
CID 113464038
5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689052
5-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107377630
N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide
CID 66005550
2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114918866
5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685339
5-(2-tert-butylsulfanylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 120688956
3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
CID 107519323
5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107418817
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 103803729
5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685018
5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685745

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid (CID 120685133) is 5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid is CC1CC1CNC(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is DDTMJVDKNVEWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-2-7(6)3-14-10(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-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid?
5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).