[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

C18H18N2O4 — CID 4151617

IUPAC[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NC1CCCc2ccccc21
InChIInChI=1S/C18H18N2O4/c21-16(11-24-18(23)14-8-4-10-19-17(14)22)20-15-9-3-6-12-5-1-2-7-13(12)15/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,19,22)(H,20,21)
InChIKeyAHLBOEHDXUKWKX-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.73
Rot. Bonds4

About [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 4151617) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID4151617
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NC1CCCc2ccccc21
InChIInChI=1S/C18H18N2O4/c21-16(11-24-18(23)14-8-4-10-19-17(14)22)20-15-9-3-6-12-5-1-2-7-13(12)15/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,19,22)(H,20,21)
InChIKeyAHLBOEHDXUKWKX-UHFFFAOYSA-N
XLogP1.73
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate with MolForge

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Related Compounds

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2365041
[2-Oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-methylbut-2-enoate
CID 3624221
[2-oxo-2-(1-phenylethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 4408873
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 4879964
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2392227
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2355403
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2367211
[2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2358185
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] (E)-3-phenylprop-2-enoate
CID 5864875
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2604380
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2552388
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 2603709

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 4151617) is [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)NC1CCCc2ccccc21.
What is the InChIKey of [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is AHLBOEHDXUKWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-16(11-24-18(23)14-8-4-10-19-17(14)22)20-15-9-3-6-12-5-1-2-7-13(12)15/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,19,22)(H,20,21).
What are the key properties of [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 4151617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).