methyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate

C23H23NO4 — CID 18974114

IUPACmethyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(CCc2ccccc2OCc2ccccc2)cc1OC
InChIInChI=1S/C23H23NO4/c1-26-22-14-19(24-15-20(22)23(25)27-2)13-12-18-10-6-7-11-21(18)28-16-17-8-4-3-5-9-17/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyKFJDDGIFWHWZGE-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.24
Rot. Bonds8

About methyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate

methyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate (PubChem CID 18974114) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate
PubChem CID18974114
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Namemethyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(CCc2ccccc2OCc2ccccc2)cc1OC
InChIInChI=1S/C23H23NO4/c1-26-22-14-19(24-15-20(22)23(25)27-2)13-12-18-10-6-7-11-21(18)28-16-17-8-4-3-5-9-17/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyKFJDDGIFWHWZGE-UHFFFAOYSA-N
XLogP4.24
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate?
The IUPAC name of methyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate (CID 18974114) is methyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate is COC(=O)c1cnc(CCc2ccccc2OCc2ccccc2)cc1OC.
What is the InChIKey of methyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate?
The InChIKey is KFJDDGIFWHWZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-26-22-14-19(24-15-20(22)23(25)27-2)13-12-18-10-6-7-11-21(18)28-16-17-8-4-3-5-9-17/h3-11,14-15H,12-13,16H2,1-2H3.
What are the key properties of methyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate?
methyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate is sourced from PubChem (CID 18974114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).