methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate

C23H20ClFN2O5 — CID 71150541

IUPACmethyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(NC(C)=O)c1OCc1ccccc1
InChIInChI=1S/C23H20ClFN2O5/c1-13(28)26-18-11-17(15-9-10-16(24)21(30-2)19(15)25)27-20(23(29)31-3)22(18)32-12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,26,27,28)
InChIKeyDWBFEMNHXXQECO-UHFFFAOYSA-N
MW458.87 g/mol
LogP4.87
Rot. Bonds7

About methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate

methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate (PubChem CID 71150541) has the molecular formula C23H20ClFN2O5 and a molecular weight of 458.87 g/mol. Its IUPAC name is methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate
PubChem CID71150541
Molecular FormulaC23H20ClFN2O5
Molecular Weight458.87 g/mol
Exact Mass458.10
IUPAC Namemethyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(NC(C)=O)c1OCc1ccccc1
InChIInChI=1S/C23H20ClFN2O5/c1-13(28)26-18-11-17(15-9-10-16(24)21(30-2)19(15)25)27-20(23(29)31-3)22(18)32-12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,26,27,28)
InChIKeyDWBFEMNHXXQECO-UHFFFAOYSA-N
XLogP4.87
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.87
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate?
The IUPAC name of methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate (CID 71150541) is methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(NC(C)=O)c1OCc1ccccc1.
What is the InChIKey of methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate?
The InChIKey is DWBFEMNHXXQECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O5/c1-13(28)26-18-11-17(15-9-10-16(24)21(30-2)19(15)25)27-20(23(29)31-3)22(18)32-12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,26,27,28).
What are the key properties of methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate?
methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate has a molecular weight of 458.87 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate is sourced from PubChem (CID 71150541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).