5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid

C18H19N3O3 — CID 120685289

IUPAC5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)N(Cc2ccccc2)CC2CCC2)cn1
InChIInChI=1S/C18H19N3O3/c22-17(15-9-20-16(10-19-15)18(23)24)21(12-14-7-4-8-14)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,14H,4,7-8,11-12H2,(H,23,24)
InChIKeyAFBQDHIVSSDZSP-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.62
Rot. Bonds6

About 5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid

5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685289) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685289
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)N(Cc2ccccc2)CC2CCC2)cn1
InChIInChI=1S/C18H19N3O3/c22-17(15-9-20-16(10-19-15)18(23)24)21(12-14-7-4-8-14)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,14H,4,7-8,11-12H2,(H,23,24)
InChIKeyAFBQDHIVSSDZSP-UHFFFAOYSA-N
XLogP2.62
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 78781899
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Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120685289) is 5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)N(Cc2ccccc2)CC2CCC2)cn1.
What is the InChIKey of 5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is AFBQDHIVSSDZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17(15-9-20-16(10-19-15)18(23)24)21(12-14-7-4-8-14)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,14H,4,7-8,11-12H2,(H,23,24).
What are the key properties of 5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).