3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid

C14H11N3O5 — CID 56762340

IUPAC3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1O
InChIInChI=1S/C14H11N3O5/c1-7(18)9-3-2-8(6-10(9)19)17-13(20)11-12(14(21)22)16-5-4-15-11/h2-6,19H,1H3,(H,17,20)(H,21,22)
InChIKeyIGHKQLXPWOYANH-UHFFFAOYSA-N
MW301.26 g/mol
LogP1.34
Rot. Bonds4

About 3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 56762340) has the molecular formula C14H11N3O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is 3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID56762340
Molecular FormulaC14H11N3O5
Molecular Weight301.26 g/mol
Exact Mass301.07
IUPAC Name3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1O
InChIInChI=1S/C14H11N3O5/c1-7(18)9-3-2-8(6-10(9)19)17-13(20)11-12(14(21)22)16-5-4-15-11/h2-6,19H,1H3,(H,17,20)(H,21,22)
InChIKeyIGHKQLXPWOYANH-UHFFFAOYSA-N
XLogP1.34
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-carboxy-4-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270975
3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 2813206
3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762366
3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 739737
3-(2,1,3-benzothiadiazol-5-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 39044412
3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate
CID 54684810
3-[[3-chloro-4-(dimethylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid;N,N-dimethylformamide
CID 163331656
3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866755
3-[(2-acetyl-4,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39350763
3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39353282
2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030920
2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 115295735

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 56762340) is 3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid is CC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1O.
What is the InChIKey of 3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is IGHKQLXPWOYANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5/c1-7(18)9-3-2-8(6-10(9)19)17-13(20)11-12(14(21)22)16-5-4-15-11/h2-6,19H,1H3,(H,17,20)(H,21,22).
What are the key properties of 3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 301.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 56762340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).