methyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate

C17H19NO4 — CID 174993009

IUPACmethyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C(C)c2ccc(OC)cc2)nc(C)c1O
InChIInChI=1S/C17H19NO4/c1-10(12-5-7-13(21-3)8-6-12)15-9-14(17(20)22-4)16(19)11(2)18-15/h5-10,19H,1-4H3
InChIKeyBNVCVWFRTJBLPU-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.04
Rot. Bonds4

About methyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate

methyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate (PubChem CID 174993009) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate
PubChem CID174993009
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namemethyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C(C)c2ccc(OC)cc2)nc(C)c1O
InChIInChI=1S/C17H19NO4/c1-10(12-5-7-13(21-3)8-6-12)15-9-14(17(20)22-4)16(19)11(2)18-15/h5-10,19H,1-4H3
InChIKeyBNVCVWFRTJBLPU-UHFFFAOYSA-N
XLogP3.04
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate?
The IUPAC name of methyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate (CID 174993009) is methyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate is COC(=O)c1cc(C(C)c2ccc(OC)cc2)nc(C)c1O.
What is the InChIKey of methyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate?
The InChIKey is BNVCVWFRTJBLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-10(12-5-7-13(21-3)8-6-12)15-9-14(17(20)22-4)16(19)11(2)18-15/h5-10,19H,1-4H3.
What are the key properties of methyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate?
methyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate is sourced from PubChem (CID 174993009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).