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

C13H9ClN4O4 — CID 56762366

IUPAC3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1Cl
InChIInChI=1S/C13H9ClN4O4/c14-8-5-6(1-2-7(8)11(15)19)18-12(20)9-10(13(21)22)17-4-3-16-9/h1-5H,(H2,15,19)(H,18,20)(H,21,22)
InChIKeyMUSTXLKERYVFIQ-UHFFFAOYSA-N
MW320.69 g/mol
LogP1.18
Rot. Bonds4

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

3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 56762366) has the molecular formula C13H9ClN4O4 and a molecular weight of 320.69 g/mol. Its IUPAC name is 3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID56762366
Molecular FormulaC13H9ClN4O4
Molecular Weight320.69 g/mol
Exact Mass320.03
IUPAC Name3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1Cl
InChIInChI=1S/C13H9ClN4O4/c14-8-5-6(1-2-7(8)11(15)19)18-12(20)9-10(13(21)22)17-4-3-16-9/h1-5H,(H2,15,19)(H,18,20)(H,21,22)
InChIKeyMUSTXLKERYVFIQ-UHFFFAOYSA-N
XLogP1.18
TPSA135.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.69
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-carboxy-4-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270975
3-[[3-chloro-4-(dimethylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid;N,N-dimethylformamide
CID 163331656
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788
3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762340
4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688148
N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide
CID 61051510
3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39353282
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
3-benzyl-N-(4-carbamoyl-3-chlorophenyl)-4-oxophthalazine-1-carboxamide
CID 39170985
3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 739737
3-(2,1,3-benzothiadiazol-5-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 39044412

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 56762366) is 3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid is NC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1Cl.
What is the InChIKey of 3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is MUSTXLKERYVFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O4/c14-8-5-6(1-2-7(8)11(15)19)18-12(20)9-10(13(21)22)17-4-3-16-9/h1-5H,(H2,15,19)(H,18,20)(H,21,22).
What are the key properties of 3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 320.69 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 56762366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).