3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid

C13H11N3O4 — CID 20866755

IUPAC3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1cccc(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C13H11N3O4/c1-20-9-4-2-3-8(7-9)16-12(17)10-11(13(18)19)15-6-5-14-10/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyWGPSOMGKOKEJID-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.44
Rot. Bonds4

About 3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 20866755) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID20866755
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1cccc(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C13H11N3O4/c1-20-9-4-2-3-8(7-9)16-12(17)10-11(13(18)19)15-6-5-14-10/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyWGPSOMGKOKEJID-UHFFFAOYSA-N
XLogP1.44
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 46673484
N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683979
3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 56763143
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
4-amino-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 55041968
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
N-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 110693653
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
N-(3-methoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640036
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773
4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19508436

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 20866755) is 3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid is COc1cccc(NC(=O)c2nccnc2C(=O)O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is WGPSOMGKOKEJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-20-9-4-2-3-8(7-9)16-12(17)10-11(13(18)19)15-6-5-14-10/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 20866755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).