3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid

C12H8Cl2N4O3 — CID 63260352

IUPAC3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid
SMILESO=C(Nc1cc(Cl)ccc1Cl)Nc1nccnc1C(=O)O
InChIInChI=1S/C12H8Cl2N4O3/c13-6-1-2-7(14)8(5-6)17-12(21)18-10-9(11(19)20)15-3-4-16-10/h1-5H,(H,19,20)(H2,16,17,18,21)
InChIKeyZPEDDTRAPRFOAO-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.13
Rot. Bonds3

About 3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid

3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid (PubChem CID 63260352) has the molecular formula C12H8Cl2N4O3 and a molecular weight of 327.13 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid
PubChem CID63260352
Molecular FormulaC12H8Cl2N4O3
Molecular Weight327.13 g/mol
Exact Mass326.00
IUPAC Name3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid
SMILESO=C(Nc1cc(Cl)ccc1Cl)Nc1nccnc1C(=O)O
InChIInChI=1S/C12H8Cl2N4O3/c13-6-1-2-7(14)8(5-6)17-12(21)18-10-9(11(19)20)15-3-4-16-10/h1-5H,(H,19,20)(H2,16,17,18,21)
InChIKeyZPEDDTRAPRFOAO-UHFFFAOYSA-N
XLogP3.13
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid
CID 64529049
1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108813934
3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270981
3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 63261817
1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108886224
1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108886244
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
3-acetamidopyrazine-2-carboxylic acid
CID 10511603
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid
CID 63260045

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid (CID 63260352) is 3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid is O=C(Nc1cc(Cl)ccc1Cl)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid?
The InChIKey is ZPEDDTRAPRFOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4O3/c13-6-1-2-7(14)8(5-6)17-12(21)18-10-9(11(19)20)15-3-4-16-10/h1-5H,(H,19,20)(H2,16,17,18,21).
What are the key properties of 3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid?
3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid has a molecular weight of 327.13 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63260352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).