[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C20H18N2O4 — CID 2392227

IUPAC[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCCN(C(=O)COC(=O)c1ccc[nH]c1=O)c1cccc2ccccc12
InChIInChI=1S/C20H18N2O4/c1-2-22(17-11-5-8-14-7-3-4-9-15(14)17)18(23)13-26-20(25)16-10-6-12-21-19(16)24/h3-12H,2,13H2,1H3,(H,21,24)
InChIKeyDRLVVYDKHKWDDS-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.74
Rot. Bonds5

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2392227) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2392227
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCCN(C(=O)COC(=O)c1ccc[nH]c1=O)c1cccc2ccccc12
InChIInChI=1S/C20H18N2O4/c1-2-22(17-11-5-8-14-7-3-4-9-15(14)17)18(23)13-26-20(25)16-10-6-12-21-19(16)24/h3-12H,2,13H2,1H3,(H,21,24)
InChIKeyDRLVVYDKHKWDDS-UHFFFAOYSA-N
XLogP2.74
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2392227) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is CCN(C(=O)COC(=O)c1ccc[nH]c1=O)c1cccc2ccccc12.
What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is DRLVVYDKHKWDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-22(17-11-5-8-14-7-3-4-9-15(14)17)18(23)13-26-20(25)16-10-6-12-21-19(16)24/h3-12H,2,13H2,1H3,(H,21,24).
What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2392227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).