methyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate

C19H19NO3 — CID 57175904

IUPACmethyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate
SMILESCCN1C=C(C(=O)OC)C(=O)CC1c1ccc2ccccc2c1
InChIInChI=1S/C19H19NO3/c1-3-20-12-16(19(22)23-2)18(21)11-17(20)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,17H,3,11H2,1-2H3
InChIKeyHVXLOOZTCQBPFZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.23
Rot. Bonds3

About methyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate

methyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate (PubChem CID 57175904) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate
PubChem CID57175904
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate
SMILESCCN1C=C(C(=O)OC)C(=O)CC1c1ccc2ccccc2c1
InChIInChI=1S/C19H19NO3/c1-3-20-12-16(19(22)23-2)18(21)11-17(20)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,17H,3,11H2,1-2H3
InChIKeyHVXLOOZTCQBPFZ-UHFFFAOYSA-N
XLogP3.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate?
The IUPAC name of methyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate (CID 57175904) is methyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate.
What is the SMILES notation for methyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate?
The canonical SMILES for methyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate is CCN1C=C(C(=O)OC)C(=O)CC1c1ccc2ccccc2c1.
What is the InChIKey of methyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate?
The InChIKey is HVXLOOZTCQBPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-20-12-16(19(22)23-2)18(21)11-17(20)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,17H,3,11H2,1-2H3.
What are the key properties of methyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate?
methyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-2-naphthalen-2-yl-4-oxo-2,3-dihydropyridine-5-carboxylate is sourced from PubChem (CID 57175904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).