[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C17H18N2O5 — CID 2346594

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C17H18N2O5/c1-23-13-6-4-12(5-7-13)8-10-18-15(20)11-24-17(22)14-3-2-9-19-16(14)21/h2-7,9H,8,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyKUPMYNRBJVDXHJ-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.90
Rot. Bonds7

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2346594) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2346594
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C17H18N2O5/c1-23-13-6-4-12(5-7-13)8-10-18-15(20)11-24-17(22)14-3-2-9-19-16(14)21/h2-7,9H,8,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyKUPMYNRBJVDXHJ-UHFFFAOYSA-N
XLogP0.90
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2555089
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate
CID 3658733
N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690825
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609921
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 30400735
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 42590255
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 9344823
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614932
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786151
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 7500277
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2423206
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786670

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2346594) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is COc1ccc(CCNC(=O)COC(=O)c2ccc[nH]c2=O)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is KUPMYNRBJVDXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-23-13-6-4-12(5-7-13)8-10-18-15(20)11-24-17(22)14-3-2-9-19-16(14)21/h2-7,9H,8,10-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2346594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).