4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid

C13H10ClN3O3 — CID 107371405

IUPAC4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C13H10ClN3O3/c1-7-4-8(13(19)20)2-3-9(7)17-12(18)10-5-16-11(14)6-15-10/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyIFJDWNJKBMMDMZ-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.39
Rot. Bonds3

About 4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid

4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid (PubChem CID 107371405) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
PubChem CID107371405
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C13H10ClN3O3/c1-7-4-8(13(19)20)2-3-9(7)17-12(18)10-5-16-11(14)6-15-10/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyIFJDWNJKBMMDMZ-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-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62959114
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62239229
5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 107246307
5-chloro-N-(6-chloro-2-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107329768
4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
CID 81226642
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803621
5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107371536

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid (CID 107371405) is 4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid?
The InChIKey is IFJDWNJKBMMDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-7-4-8(13(19)20)2-3-9(7)17-12(18)10-5-16-11(14)6-15-10/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid?
4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic 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 4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 107371405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).