methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate

C17H18N2O3 — CID 78838290

IUPACmethyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2c(C)cc(C)nc2C)cc1
InChIInChI=1S/C17H18N2O3/c1-10-9-11(2)18-12(3)15(10)19-16(20)13-5-7-14(8-6-13)17(21)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyXWYNSSWMTJSOLT-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.05
Rot. Bonds3

About methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate

methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate (PubChem CID 78838290) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate
PubChem CID78838290
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2c(C)cc(C)nc2C)cc1
InChIInChI=1S/C17H18N2O3/c1-10-9-11(2)18-12(3)15(10)19-16(20)13-5-7-14(8-6-13)17(21)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyXWYNSSWMTJSOLT-UHFFFAOYSA-N
XLogP3.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78859603
6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide
CID 78837599
N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 586045
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350
4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78859795
methyl 4-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192912
1-acetyl-N-(2,4,6-trimethyl-3-pyridinyl)-2,3-dihydroindole-5-carboxamide
CID 78859744
2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide
CID 100682484
2-ethoxy-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide
CID 78838433
methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate
CID 164511154
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide
CID 91969122
3-(diethylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838749

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate (CID 78838290) is methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2c(C)cc(C)nc2C)cc1.
What is the InChIKey of methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate?
The InChIKey is XWYNSSWMTJSOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10-9-11(2)18-12(3)15(10)19-16(20)13-5-7-14(8-6-13)17(21)22-4/h5-9H,1-4H3,(H,19,20).
What are the key properties of methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate?
methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate has a molecular weight of 298.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate is sourced from PubChem (CID 78838290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).