3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid

C15H15N3O4 — CID 135632821

IUPAC3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)c1ccc(O)c(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C15H15N3O4/c1-8(2)9-3-4-11(19)10(7-9)18-14(20)12-13(15(21)22)17-6-5-16-12/h3-8,19H,1-2H3,(H,18,20)(H,21,22)
InChIKeyJCWOXCJBQDXPPE-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.26
Rot. Bonds4

About 3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 135632821) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID135632821
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)c1ccc(O)c(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C15H15N3O4/c1-8(2)9-3-4-11(19)10(7-9)18-14(20)12-13(15(21)22)17-6-5-16-12/h3-8,19H,1-2H3,(H,18,20)(H,21,22)
InChIKeyJCWOXCJBQDXPPE-UHFFFAOYSA-N
XLogP2.26
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide
CID 119132580
3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53271000
3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262062
3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762340
3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866788
3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 39315015
3-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22587053
N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide
CID 17099665
3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270981
3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 53368602
3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866752
3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 2811778

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 135632821) is 3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid is CC(C)c1ccc(O)c(NC(=O)c2nccnc2C(=O)O)c1.
What is the InChIKey of 3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is JCWOXCJBQDXPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-8(2)9-3-4-11(19)10(7-9)18-14(20)12-13(15(21)22)17-6-5-16-12/h3-8,19H,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 135632821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).