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

C20H19NO3 — CID 118694536

IUPACbenzyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OCc2ccccc2)C(c2ccccc2)CC(=O)N1
InChIInChI=1S/C20H19NO3/c1-14-19(20(23)24-13-15-8-4-2-5-9-15)17(12-18(22)21-14)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,21,22)
InChIKeyIAWBMVDQRBSVCN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.31
Rot. Bonds4

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

benzyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 118694536) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is benzyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID118694536
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Namebenzyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OCc2ccccc2)C(c2ccccc2)CC(=O)N1
InChIInChI=1S/C20H19NO3/c1-14-19(20(23)24-13-15-8-4-2-5-9-15)17(12-18(22)21-14)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,21,22)
InChIKeyIAWBMVDQRBSVCN-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of benzyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate (CID 118694536) is benzyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for benzyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for benzyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate is CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2)CC(=O)N1.
What is the InChIKey of benzyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is IAWBMVDQRBSVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-19(20(23)24-13-15-8-4-2-5-9-15)17(12-18(22)21-14)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,21,22).
What are the key properties of benzyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
benzyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 118694536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).