3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid

C14H13N3O3 — CID 63262061

IUPAC3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid
SMILESCCc1ccc(C(=O)Nc2nccnc2C(=O)O)cc1
InChIInChI=1S/C14H13N3O3/c1-2-9-3-5-10(6-4-9)13(18)17-12-11(14(19)20)15-7-8-16-12/h3-8H,2H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyOBHUQMACPBJCKK-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.99
Rot. Bonds4

About 3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid

3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid (PubChem CID 63262061) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid
PubChem CID63262061
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid
SMILESCCc1ccc(C(=O)Nc2nccnc2C(=O)O)cc1
InChIInChI=1S/C14H13N3O3/c1-2-9-3-5-10(6-4-9)13(18)17-12-11(14(19)20)15-7-8-16-12/h3-8H,2H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyOBHUQMACPBJCKK-UHFFFAOYSA-N
XLogP1.99
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262062
3-[(3,4-dihydroxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 136904575
3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260100
3-acetamidopyrazine-2-carboxylic acid
CID 10511603
3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 79737285
3-amino-N'-(4-ethylbenzoyl)pyrazine-2-carbohydrazide
CID 42003587
methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate
CID 53485391
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
3-[(3,4,5-trifluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262348
3-[(3-bromo-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262243
3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262330
3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 107517103

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid (CID 63262061) is 3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid is CCc1ccc(C(=O)Nc2nccnc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is OBHUQMACPBJCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-2-9-3-5-10(6-4-9)13(18)17-12-11(14(19)20)15-7-8-16-12/h3-8H,2H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid?
3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63262061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).