methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate

C24H22N2O5 — CID 174378849

IUPACmethyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
SMILESCOC(=O)Cn1c(C=Cc2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C24H22N2O5/c1-30-22(27)16-26-20(13-12-18-8-4-2-5-9-18)14-15-21(23(26)28)25-24(29)31-17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,25,29)
InChIKeyUYXWWDGHMAAFLZ-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.94
Rot. Bonds7

About methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate

methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate (PubChem CID 174378849) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
PubChem CID174378849
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Namemethyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
SMILESCOC(=O)Cn1c(C=Cc2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C24H22N2O5/c1-30-22(27)16-26-20(13-12-18-8-4-2-5-9-18)14-15-21(23(26)28)25-24(29)31-17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,25,29)
InChIKeyUYXWWDGHMAAFLZ-UHFFFAOYSA-N
XLogP3.94
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 18172501
benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
CID 70699902
methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 70186119
methyl 2-[phenylmethoxycarbonyl-[(E)-3-phenylprop-2-enyl]amino]acetate
CID 11645787
benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 139631472
2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66854688
tert-butyl 2-[2,3,4-trimethyl-6-oxo-5-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 54490803
2-[6-benzyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66853303
2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66853852
benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
CID 141316548
(4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate
CID 4271861
benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate
CID 10361338

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate (CID 174378849) is methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate is COC(=O)Cn1c(C=Cc2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O.
What is the InChIKey of methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
The InChIKey is UYXWWDGHMAAFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-30-22(27)16-26-20(13-12-18-8-4-2-5-9-18)14-15-21(23(26)28)25-24(29)31-17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,25,29).
What are the key properties of methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate has a molecular weight of 418.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate is sourced from PubChem (CID 174378849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).