methyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate

C19H17NO3 — CID 12831231

IUPACmethyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate
SMILESCCn1cc(C(=O)OC)c(=O)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO3/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/h4-12H,3H2,1-2H3
InChIKeyIBRPASKYXURDBT-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.47
Rot. Bonds3

About methyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate

methyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate (PubChem CID 12831231) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate
PubChem CID12831231
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namemethyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate
SMILESCCn1cc(C(=O)OC)c(=O)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO3/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/h4-12H,3H2,1-2H3
InChIKeyIBRPASKYXURDBT-UHFFFAOYSA-N
XLogP3.47
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate (CID 12831231) is methyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate is CCn1cc(C(=O)OC)c(=O)cc1-c1ccc2ccccc2c1.
What is the InChIKey of methyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate?
The InChIKey is IBRPASKYXURDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/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/h4-12H,3H2,1-2H3.
What are the key properties of methyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate?
methyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate is sourced from PubChem (CID 12831231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).