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

C17H19N3O3 — CID 167886584

IUPAC5-[[2-(3-methylbutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)CCc1ccccc1NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C17H19N3O3/c1-11(2)7-8-12-5-3-4-6-13(12)20-16(21)14-9-19-15(10-18-14)17(22)23/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFRYMMOBLUYQHII-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.02
Rot. Bonds6

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

5-[[2-(3-methylbutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 167886584) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[[2-(3-methylbutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(3-methylbutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID167886584
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-[[2-(3-methylbutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)CCc1ccccc1NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C17H19N3O3/c1-11(2)7-8-12-5-3-4-6-13(12)20-16(21)14-9-19-15(10-18-14)17(22)23/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFRYMMOBLUYQHII-UHFFFAOYSA-N
XLogP3.02
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[2-(2-methoxyethyl)phenyl]pyrazine-2-carboxamide
CID 107377211
5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109287893
5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109287909
5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684789
5-[(3-methyl-1-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684810
5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 61408290
5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide
CID 75477995
5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109272633
N-(2-ethylphenyl)-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109291492
5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109290312
N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287912
5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide
CID 113271900

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-methylbutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-(3-methylbutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid (CID 167886584) is 5-[[2-(3-methylbutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(3-methylbutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(3-methylbutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid is CC(C)CCc1ccccc1NC(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[[2-(3-methylbutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is FRYMMOBLUYQHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11(2)7-8-12-5-3-4-6-13(12)20-16(21)14-9-19-15(10-18-14)17(22)23/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 5-[[2-(3-methylbutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
5-[[2-(3-methylbutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-methylbutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167886584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).