3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one

C23H32N2O3 — CID 166530038

IUPAC3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
SMILESCCCc1ccc(CCc2[nH]c(OCC3CCCCO3)cc(=O)c2NC)cc1
InChIInChI=1S/C23H32N2O3/c1-3-6-17-8-10-18(11-9-17)12-13-20-23(24-2)21(26)15-22(25-20)28-16-19-7-4-5-14-27-19/h8-11,15,19,24H,3-7,12-14,16H2,1-2H3,(H,25,26)
InChIKeyDGQXNJXDSVICDH-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.10
Rot. Bonds9

About 3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one

3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one (PubChem CID 166530038) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
PubChem CID166530038
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
SMILESCCCc1ccc(CCc2[nH]c(OCC3CCCCO3)cc(=O)c2NC)cc1
InChIInChI=1S/C23H32N2O3/c1-3-6-17-8-10-18(11-9-17)12-13-20-23(24-2)21(26)15-22(25-20)28-16-19-7-4-5-14-27-19/h8-11,15,19,24H,3-7,12-14,16H2,1-2H3,(H,25,26)
InChIKeyDGQXNJXDSVICDH-UHFFFAOYSA-N
XLogP4.10
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one with MolForge

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Related Compounds

3-butyl-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166530053
6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one
CID 166529992
3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166530024
3-(1-methylpyrrol-3-yl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166529871
methyl 2-[4-[6-[[(2R)-oxan-2-yl]methoxy]-4-oxo-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-3-yl]phenoxy]acetate
CID 166530000
2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one
CID 166530031
7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one
CID 166529801
2-[2-(4-ethoxyphenyl)ethynyl]-6-(oxan-2-ylmethoxy)-4-oxo-1H-pyridine-3-carbonitrile
CID 176645116
6-(1,4-dioxan-2-ylmethoxy)-3-ethyl-2-[2-[4-(3-methylsulfonylpropoxy)phenyl]ethyl]-1H-pyridin-4-one
CID 166529808
3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine
CID 166529965
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
N-[[3-bromo-4-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55147134

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one?
The IUPAC name of 3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one (CID 166530038) is 3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one?
The canonical SMILES for 3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one is CCCc1ccc(CCc2[nH]c(OCC3CCCCO3)cc(=O)c2NC)cc1.
What is the InChIKey of 3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one?
The InChIKey is DGQXNJXDSVICDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-3-6-17-8-10-18(11-9-17)12-13-20-23(24-2)21(26)15-22(25-20)28-16-19-7-4-5-14-27-19/h8-11,15,19,24H,3-7,12-14,16H2,1-2H3,(H,25,26).
What are the key properties of 3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one?
3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one has a molecular weight of 384.52 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one is sourced from PubChem (CID 166530038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).