3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid

C14H11N3O5 — CID 53271000

IUPAC3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1nccnc1C(=O)O
InChIInChI=1S/C14H11N3O5/c1-7-2-3-8(13(19)20)6-9(7)17-12(18)10-11(14(21)22)16-5-4-15-10/h2-6H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyPWSMSUINZUCYQH-UHFFFAOYSA-N
MW301.26 g/mol
LogP1.43
Rot. Bonds4

About 3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 53271000) has the molecular formula C14H11N3O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is 3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID53271000
Molecular FormulaC14H11N3O5
Molecular Weight301.26 g/mol
Exact Mass301.07
IUPAC Name3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1nccnc1C(=O)O
InChIInChI=1S/C14H11N3O5/c1-7-2-3-8(13(19)20)6-9(7)17-12(18)10-11(14(21)22)16-5-4-15-10/h2-6H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyPWSMSUINZUCYQH-UHFFFAOYSA-N
XLogP1.43
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270981
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 39315015
4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid
CID 67125632
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655
3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866788
3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 43350893
3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid
CID 24695586
3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
CID 134880122

Frequently Asked Questions

What is the IUPAC name of 3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 53271000) is 3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid is Cc1ccc(C(=O)O)cc1NC(=O)c1nccnc1C(=O)O.
What is the InChIKey of 3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is PWSMSUINZUCYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5/c1-7-2-3-8(13(19)20)6-9(7)17-12(18)10-11(14(21)22)16-5-4-15-10/h2-6H,1H3,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 301.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 53271000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).