ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate

C24H23FN2O5 — CID 10433248

IUPACethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cc(Cc2ccc(F)cc2)cc(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C24H23FN2O5/c1-2-31-22(28)15-27-14-19(12-17-8-10-20(25)11-9-17)13-21(23(27)29)26-24(30)32-16-18-6-4-3-5-7-18/h3-11,13-14H,2,12,15-16H2,1H3,(H,26,30)
InChIKeySBXAFUVOJNOBTF-UHFFFAOYSA-N
MW438.46 g/mol
LogP3.89
Rot. Bonds8

About ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate

ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate (PubChem CID 10433248) has the molecular formula C24H23FN2O5 and a molecular weight of 438.46 g/mol. Its IUPAC name is ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
PubChem CID10433248
Molecular FormulaC24H23FN2O5
Molecular Weight438.46 g/mol
Exact Mass438.16
IUPAC Nameethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cc(Cc2ccc(F)cc2)cc(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C24H23FN2O5/c1-2-31-22(28)15-27-14-19(12-17-8-10-20(25)11-9-17)13-21(23(27)29)26-24(30)32-16-18-6-4-3-5-7-18/h3-11,13-14H,2,12,15-16H2,1H3,(H,26,30)
InChIKeySBXAFUVOJNOBTF-UHFFFAOYSA-N
XLogP3.89
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate with MolForge

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Related Compounds

[4-[[6-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-5-(phenylmethoxycarbonylamino)-3-pyridinyl]methyl]phenyl] 2,2-dimethylpropanoate
CID 10394405
5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one
CID 59105021
ethyl 2-[5-(3-bromopropyl)-2-oxo-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetate
CID 178038528
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
[4-fluoro-2-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 139269826
benzyl N-(5-fluoro-2-formylphenyl)carbamate
CID 123244128
ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate
CID 18415006
benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
CID 70699902
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-5-[(4-fluorophenyl)methyl]phenyl]propanoate
CID 19962355
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate (CID 10433248) is ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate is CCOC(=O)Cn1cc(Cc2ccc(F)cc2)cc(NC(=O)OCc2ccccc2)c1=O.
What is the InChIKey of ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
The InChIKey is SBXAFUVOJNOBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5/c1-2-31-22(28)15-27-14-19(12-17-8-10-20(25)11-9-17)13-21(23(27)29)26-24(30)32-16-18-6-4-3-5-7-18/h3-11,13-14H,2,12,15-16H2,1H3,(H,26,30).
What are the key properties of ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate has a molecular weight of 438.46 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate is sourced from PubChem (CID 10433248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).