methyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate

C20H23NO5 — CID 170428471

IUPACmethyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cn(C2(C)CCOCC2)c(=O)cc1Oc1ccccc1C
InChIInChI=1S/C20H23NO5/c1-14-6-4-5-7-16(14)26-17-12-18(22)21(13-15(17)19(23)24-3)20(2)8-10-25-11-9-20/h4-7,12-13H,8-11H2,1-3H3
InChIKeyBMGHRYRCHUBSKX-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.26
Rot. Bonds4

About methyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate

methyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate (PubChem CID 170428471) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate
PubChem CID170428471
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namemethyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cn(C2(C)CCOCC2)c(=O)cc1Oc1ccccc1C
InChIInChI=1S/C20H23NO5/c1-14-6-4-5-7-16(14)26-17-12-18(22)21(13-15(17)19(23)24-3)20(2)8-10-25-11-9-20/h4-7,12-13H,8-11H2,1-3H3
InChIKeyBMGHRYRCHUBSKX-UHFFFAOYSA-N
XLogP3.26
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate (CID 170428471) is methyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate is COC(=O)c1cn(C2(C)CCOCC2)c(=O)cc1Oc1ccccc1C.
What is the InChIKey of methyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate?
The InChIKey is BMGHRYRCHUBSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14-6-4-5-7-16(14)26-17-12-18(22)21(13-15(17)19(23)24-3)20(2)8-10-25-11-9-20/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of methyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate?
methyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methyloxan-4-yl)-4-(2-methylphenoxy)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 170428471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).