methyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate

C15H16N2O4 — CID 3162775

IUPACmethyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1ccccc1
InChIInChI=1S/C15H16N2O4/c1-9-13(15(20)21-2)11(8-12(18)16-9)14(19)17-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyFLIVKBBUXDPMHA-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.21
Rot. Bonds3

About methyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate

methyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 3162775) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID3162775
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1ccccc1
InChIInChI=1S/C15H16N2O4/c1-9-13(15(20)21-2)11(8-12(18)16-9)14(19)17-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyFLIVKBBUXDPMHA-UHFFFAOYSA-N
XLogP1.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of methyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate (CID 3162775) is methyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for methyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate is COC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1ccccc1.
What is the InChIKey of methyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is FLIVKBBUXDPMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-13(15(20)21-2)11(8-12(18)16-9)14(19)17-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of methyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
methyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-oxo-4-(phenylcarbamoyl)-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 3162775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).