5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid

C11H15N3O4 — CID 120685418

IUPAC5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
SMILESCOCCC(C)NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C11H15N3O4/c1-7(3-4-18-2)14-10(15)8-5-13-9(6-12-8)11(16)17/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyWXWXEOIQDFLCTC-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.33
Rot. Bonds6

About 5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid

5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid (PubChem CID 120685418) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
PubChem CID120685418
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
SMILESCOCCC(C)NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C11H15N3O4/c1-7(3-4-18-2)14-10(15)8-5-13-9(6-12-8)11(16)17/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyWXWXEOIQDFLCTC-UHFFFAOYSA-N
XLogP0.33
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydrazinyl-N-(4-methoxybutan-2-yl)pyrazine-2-carboxamide
CID 107378401
5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685710
5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684984
5-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685628
5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685327
N-(4-methoxybutan-2-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641554
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid
CID 104567375
5-[(3-methyl-1-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684810
5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684793
3-(4-methoxybutan-2-ylcarbamoyl)benzoic acid
CID 64603087
5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685825

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid (CID 120685418) is 5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid is COCCC(C)NC(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid?
The InChIKey is WXWXEOIQDFLCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(3-4-18-2)14-10(15)8-5-13-9(6-12-8)11(16)17/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid?
5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).