ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate

C16H16N2O3 — CID 71763067

IUPACethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccccc2)c(C)n1
InChIInChI=1S/C16H16N2O3/c1-3-21-16(20)14-10-9-13(11(2)17-14)15(19)18-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyBEZHBFBSXLLKCT-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.82
Rot. Bonds4

About ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate

ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate (PubChem CID 71763067) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate
PubChem CID71763067
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Nameethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccccc2)c(C)n1
InChIInChI=1S/C16H16N2O3/c1-3-21-16(20)14-10-9-13(11(2)17-14)15(19)18-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyBEZHBFBSXLLKCT-UHFFFAOYSA-N
XLogP2.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55706019
ethyl 4-[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]benzoate
CID 53080370
ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate
CID 55631134
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55675187
ethyl 2-(2-anilino-1-cyano-2-oxoethyl)-1,3-thiazole-4-carboxylate
CID 71907856
ethyl 6-[(2-ethoxycarbonyl-1-benzothiophen-5-yl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55632477
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
ethyl 6-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55801513
methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
CID 27873719
ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55888060
ethyl 4-[4-methyl-5-(phenylcarbamoyl)triazol-2-yl]benzoate
CID 172704900

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate (CID 71763067) is ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2ccccc2)c(C)n1.
What is the InChIKey of ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate?
The InChIKey is BEZHBFBSXLLKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-21-16(20)14-10-9-13(11(2)17-14)15(19)18-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate?
ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate is sourced from PubChem (CID 71763067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).