methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate

C14H15NO3 — CID 2727783

IUPACmethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1
InChIInChI=1S/C14H15NO3/c1-9-13(14(17)18-2)11(8-12(16)15-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,15,16)
InChIKeyHDIJQUVQZCXAKF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.74
Rot. Bonds2

About methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate

methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 2727783) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID2727783
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1
InChIInChI=1S/C14H15NO3/c1-9-13(14(17)18-2)11(8-12(16)15-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,15,16)
InChIKeyHDIJQUVQZCXAKF-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate (CID 2727783) is methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate is COC(=O)C1=C(C)NC(=O)CC1c1ccccc1.
What is the InChIKey of methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is HDIJQUVQZCXAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-13(14(17)18-2)11(8-12(16)15-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,15,16).
What are the key properties of methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 2727783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).