[2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

C17H18N2O4 — CID 2367211

IUPAC[2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NCCCc1ccccc1
InChIInChI=1S/C17H18N2O4/c20-15(18-10-4-8-13-6-2-1-3-7-13)12-23-17(22)14-9-5-11-19-16(14)21/h1-3,5-7,9,11H,4,8,10,12H2,(H,18,20)(H,19,21)
InChIKeyLGAWVOOVINOJQM-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.28
Rot. Bonds7

About [2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2367211) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is [2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2367211
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name[2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NCCCc1ccccc1
InChIInChI=1S/C17H18N2O4/c20-15(18-10-4-8-13-6-2-1-3-7-13)12-23-17(22)14-9-5-11-19-16(14)21/h1-3,5-7,9,11H,4,8,10,12H2,(H,18,20)(H,19,21)
InChIKeyLGAWVOOVINOJQM-UHFFFAOYSA-N
XLogP1.28
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-oxo-5-[oxo-(1-phenylethylamino)methyl]-1H-pyridine-3-carboxylic acid ethyl ester
CID 577819
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2342826
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2366888
2-(cyclohexylamino)-2-oxoethyl (2E)-3-phenylprop-2-enoate
CID 2509328
bis[2-(benzylamino)-2-oxoethyl] (E)-2-methylbut-2-enedioate
CID 6391584
[2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284848
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 8851636
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2346591
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2365041
[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-(benzylamino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2100692

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2367211) is [2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)NCCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is LGAWVOOVINOJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15(18-10-4-8-13-6-2-1-3-7-13)12-23-17(22)14-9-5-11-19-16(14)21/h1-3,5-7,9,11H,4,8,10,12H2,(H,18,20)(H,19,21).
What are the key properties of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2367211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).