methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate

C13H10ClN3O3 — CID 18084339

IUPACmethyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cnccn2)c1
InChIInChI=1S/C13H10ClN3O3/c1-20-13(19)8-2-3-9(14)10(6-8)17-12(18)11-7-15-4-5-16-11/h2-7H,1H3,(H,17,18)
InChIKeyGBWUYQKINUEHBD-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.17
Rot. Bonds3

About methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate

methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate (PubChem CID 18084339) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
PubChem CID18084339
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Namemethyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cnccn2)c1
InChIInChI=1S/C13H10ClN3O3/c1-20-13(19)8-2-3-9(14)10(6-8)17-12(18)11-7-15-4-5-16-11/h2-7H,1H3,(H,17,18)
InChIKeyGBWUYQKINUEHBD-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 4-chloro-3-(1,3-thiazole-4-carbonylamino)benzoate
CID 63049738
methyl 3-(pyrazine-2-carbonylamino)benzoate
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methyl 4-chloro-3-[[5-(2-methylpropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109181345
methyl 4-chloro-3-[[4-(2-methylpropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109203186
methyl 4-chloro-3-[[4-(pyrrolidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109080454
methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271897
methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate
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methyl 4-chloro-3-[(3-methylimidazole-4-carbonyl)amino]benzoate
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methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate
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methyl 4-chloro-3-[[4-(prop-2-enylamino)pyridine-2-carbonyl]amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate?
The IUPAC name of methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate (CID 18084339) is methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate?
The canonical SMILES for methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2cnccn2)c1.
What is the InChIKey of methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate?
The InChIKey is GBWUYQKINUEHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-20-13(19)8-2-3-9(14)10(6-8)17-12(18)11-7-15-4-5-16-11/h2-7H,1H3,(H,17,18).
What are the key properties of methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate?
methyl 4-chloro-3-(pyrazine-2-carbonylamino)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 4-chloro-3-(pyrazine-2-carbonylamino)benzoate is sourced from PubChem (CID 18084339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).