methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate

C23H22N2O6 — CID 70186119

IUPACmethyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
SMILESCOC(=O)Cn1c(C)cc(Oc2ccccc2)c(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C23H22N2O6/c1-16-13-19(31-18-11-7-4-8-12-18)21(22(27)25(16)14-20(26)29-2)24-23(28)30-15-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3,(H,24,28)
InChIKeyMXWZLXHPZORAIE-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.87
Rot. Bonds7

About methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate

methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate (PubChem CID 70186119) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
PubChem CID70186119
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Namemethyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
SMILESCOC(=O)Cn1c(C)cc(Oc2ccccc2)c(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C23H22N2O6/c1-16-13-19(31-18-11-7-4-8-12-18)21(22(27)25(16)14-20(26)29-2)24-23(28)30-15-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3,(H,24,28)
InChIKeyMXWZLXHPZORAIE-UHFFFAOYSA-N
XLogP3.87
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 2-[2,3,4-trimethyl-6-oxo-5-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 54490803
methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 174378849
2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 18172501
benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
CID 22933103
benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate
CID 70300379
methyl 5-oxo-5-(3-phenoxyanilino)-4-(phenylmethoxycarbonylamino)pentanoate
CID 70080867
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate
CID 15521898
benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate
CID 131862352
tert-butyl 2-[6-methyl-2-oxo-3-[[(2R)-1-phenyl-3-(phenylmethoxycarbonylamino)propan-2-yl]amino]-1-pyridinyl]acetate
CID 20639595
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
(3-phenoxyphenyl)methyl N-methylcarbamate
CID 23548707

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate (CID 70186119) is methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate is COC(=O)Cn1c(C)cc(Oc2ccccc2)c(NC(=O)OCc2ccccc2)c1=O.
What is the InChIKey of methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
The InChIKey is MXWZLXHPZORAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-16-13-19(31-18-11-7-4-8-12-18)21(22(27)25(16)14-20(26)29-2)24-23(28)30-15-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3,(H,24,28).
What are the key properties of methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate has a molecular weight of 422.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate is sourced from PubChem (CID 70186119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).