3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid

C13H10ClN3O4 — CID 63261817

IUPAC3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C13H10ClN3O4/c1-21-9-3-2-7(14)6-8(9)12(18)17-11-10(13(19)20)15-4-5-16-11/h2-6H,1H3,(H,19,20)(H,16,17,18)
InChIKeyNCOYATTZQBIJAY-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.09
Rot. Bonds4

About 3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid

3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid (PubChem CID 63261817) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
PubChem CID63261817
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C13H10ClN3O4/c1-21-9-3-2-7(14)6-8(9)12(18)17-11-10(13(19)20)15-4-5-16-11/h2-6H,1H3,(H,19,20)(H,16,17,18)
InChIKeyNCOYATTZQBIJAY-UHFFFAOYSA-N
XLogP2.09
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 79737285
3-[(2-hydroxy-5-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262198
5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 762528
5-chloro-N-(1H-imidazol-2-yl)-2-methoxybenzamide
CID 60967782
3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262187
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63643423
N-(3-chloro-2-pyridinyl)-2-methoxy-5-methylbenzamide
CID 113356136
4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid
CID 108766491
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride
CID 174302752
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53164660

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid (CID 63261817) is 3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid is COc1ccc(Cl)cc1C(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is NCOYATTZQBIJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c1-21-9-3-2-7(14)6-8(9)12(18)17-11-10(13(19)20)15-4-5-16-11/h2-6H,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid?
3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 307.69 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63261817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).