methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate

C15H15N3O3 — CID 17443095

IUPACmethyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C15H15N3O3/c1-10-7-17-13(9-16-10)14(19)18-8-11-3-5-12(6-4-11)15(20)21-2/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyYSHNDZIQNJJIIT-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.50
Rot. Bonds4

About methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate

methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate (PubChem CID 17443095) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate
PubChem CID17443095
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C15H15N3O3/c1-10-7-17-13(9-16-10)14(19)18-8-11-3-5-12(6-4-11)15(20)21-2/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyYSHNDZIQNJJIIT-UHFFFAOYSA-N
XLogP1.50
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 24660078
(4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate
CID 7956905
methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
CID 163207822
5-(methylamino)-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107375550
5-[(4-methoxycarbonylphenyl)methylcarbamoyl]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 70320563
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 51922914
methyl 4-[[(3-bromopyridine-2-carbonyl)amino]methyl]benzoate
CID 107518096
methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109188819
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
methyl 4-[[[6-[[dideuterio-(4-fluorophenyl)methyl]carbamoyl]pyrimidine-4-carbonyl]amino]methyl]benzoate
CID 118410994
5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazine-2-carboxamide
CID 47285811

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate (CID 17443095) is methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2cnc(C)cn2)cc1.
What is the InChIKey of methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate?
The InChIKey is YSHNDZIQNJJIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-7-17-13(9-16-10)14(19)18-8-11-3-5-12(6-4-11)15(20)21-2/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate?
methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate has a molecular weight of 285.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 17443095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).