methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate

C13H10ClN3O3 — CID 103817046

IUPACmethyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cnc(Cl)cn2)c1
InChIInChI=1S/C13H10ClN3O3/c1-20-13(19)8-3-2-4-9(5-8)17-12(18)10-6-16-11(14)7-15-10/h2-7H,1H3,(H,17,18)
InChIKeyZUEQBQSZIAYMQU-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.17
Rot. Bonds3

About methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate

methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate (PubChem CID 103817046) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
PubChem CID103817046
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Namemethyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cnc(Cl)cn2)c1
InChIInChI=1S/C13H10ClN3O3/c1-20-13(19)8-3-2-4-9(5-8)17-12(18)10-6-16-11(14)7-15-10/h2-7H,1H3,(H,17,18)
InChIKeyZUEQBQSZIAYMQU-UHFFFAOYSA-N
XLogP2.17
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
methyl 3-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199300
methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
CID 109274586
methyl 3-[[5-(4-chloro-2-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293109
methyl 3-(pyrimidine-4-carbonylamino)benzoate
CID 110699213
methyl 3-[[5-(2-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199140
methyl 3-[[5-(3-methylbutylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287950
methyl 3-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280992
methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109197014
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 103803477

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate (CID 103817046) is methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cnc(Cl)cn2)c1.
What is the InChIKey of methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate?
The InChIKey is ZUEQBQSZIAYMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-20-13(19)8-3-2-4-9(5-8)17-12(18)10-6-16-11(14)7-15-10/h2-7H,1H3,(H,17,18).
What are the key properties of methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate?
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate has a molecular weight of 291.69 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 103817046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).