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

C16H18N2O4 — CID 659057

IUPACethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)C(C(N)=O)C1c1ccccc1
InChIInChI=1S/C16H18N2O4/c1-3-22-16(21)11-9(2)18-15(20)13(14(17)19)12(11)10-7-5-4-6-8-10/h4-8,12-13H,3H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyRHLQQSZYRRFVJE-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.84
Rot. Bonds4

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

ethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 659057) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID659057
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)C(C(N)=O)C1c1ccccc1
InChIInChI=1S/C16H18N2O4/c1-3-22-16(21)11-9(2)18-15(20)13(14(17)19)12(11)10-7-5-4-6-8-10/h4-8,12-13H,3H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyRHLQQSZYRRFVJE-UHFFFAOYSA-N
XLogP0.84
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of ethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate (CID 659057) is ethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)C(C(N)=O)C1c1ccccc1.
What is the InChIKey of ethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is RHLQQSZYRRFVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-22-16(21)11-9(2)18-15(20)13(14(17)19)12(11)10-7-5-4-6-8-10/h4-8,12-13H,3H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of ethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
ethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 659057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).