3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid

C13H12N4O4 — CID 63260045

IUPAC3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)Nc2nccnc2C(=O)O)cc1
InChIInChI=1S/C13H12N4O4/c1-21-9-4-2-8(3-5-9)16-13(20)17-11-10(12(18)19)14-6-7-15-11/h2-7H,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyNNGNUOMYVNMDJP-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.83
Rot. Bonds4

About 3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid

3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid (PubChem CID 63260045) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid
PubChem CID63260045
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)Nc2nccnc2C(=O)O)cc1
InChIInChI=1S/C13H12N4O4/c1-21-9-4-2-8(3-5-9)16-13(20)17-11-10(12(18)19)14-6-7-15-11/h2-7H,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyNNGNUOMYVNMDJP-UHFFFAOYSA-N
XLogP1.83
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis(4-methoxyphenyl)urea
CID 139045428
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
3-[(2-hydroxy-5-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262198
3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262187
1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea
CID 159946386
3-acetamidopyrazine-2-carboxylic acid
CID 10511603
methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate
CID 53485391
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
CID 67062321
1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 58930976
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea
CID 16659630
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid (CID 63260045) is 3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid is COc1ccc(NC(=O)Nc2nccnc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid?
The InChIKey is NNGNUOMYVNMDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-21-9-4-2-8(3-5-9)16-13(20)17-11-10(12(18)19)14-6-7-15-11/h2-7H,1H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid?
3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63260045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).