3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid

C13H10ClN3O3 — CID 20866788

IUPAC3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCc1ccc(NC(=O)c2nccnc2C(=O)O)c(Cl)c1
InChIInChI=1S/C13H10ClN3O3/c1-7-2-3-9(8(14)6-7)17-12(18)10-11(13(19)20)16-5-4-15-10/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyRSQIOAYFDUUGQM-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.39
Rot. Bonds3

About 3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 20866788) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID20866788
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCc1ccc(NC(=O)c2nccnc2C(=O)O)c(Cl)c1
InChIInChI=1S/C13H10ClN3O3/c1-7-2-3-9(8(14)6-7)17-12(18)10-11(13(19)20)16-5-4-15-10/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyRSQIOAYFDUUGQM-UHFFFAOYSA-N
XLogP2.39
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53271000
4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687766
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
3-[(3-carboxy-4-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270975
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861481
N-(2-chloro-4-methylphenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62165610
[4-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluorotriazol-2-yl]phosphonic acid
CID 160904980
3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 105068439

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 20866788) is 3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid is Cc1ccc(NC(=O)c2nccnc2C(=O)O)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is RSQIOAYFDUUGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-7-2-3-9(8(14)6-7)17-12(18)10-11(13(19)20)16-5-4-15-10/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 291.69 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 20866788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).