methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate

C14H13N3O4 — CID 53485391

IUPACmethyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H13N3O4/c1-20-10-5-3-9(4-6-10)13(18)17-12-11(14(19)21-2)15-7-8-16-12/h3-8H,1-2H3,(H,16,17,18)
InChIKeyCOHPXUMMFWOEKJ-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.52
Rot. Bonds4

About methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate

methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate (PubChem CID 53485391) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate
PubChem CID53485391
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Namemethyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H13N3O4/c1-20-10-5-3-9(4-6-10)13(18)17-12-11(14(19)21-2)15-7-8-16-12/h3-8H,1-2H3,(H,16,17,18)
InChIKeyCOHPXUMMFWOEKJ-UHFFFAOYSA-N
XLogP1.52
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 53166536
N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 53166521
N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 53166560
N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866717
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 46049068
N-[3-(4-benzylpiperidine-1-carbonyl)pyrazin-2-yl]-4-methoxybenzamide
CID 53166526
N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866621
3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid
CID 63260045
3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262187
3-[(2-hydroxy-5-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262198
3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 79737285

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate (CID 53485391) is methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate is COC(=O)c1nccnc1NC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate?
The InChIKey is COHPXUMMFWOEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-20-10-5-3-9(4-6-10)13(18)17-12-11(14(19)21-2)15-7-8-16-12/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate?
methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate has a molecular weight of 287.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 53485391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).