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

C27H32N2O3 — CID 166529992

IUPAC6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one
SMILESCCCc1ccc(CCc2[nH]c(OCC3CCCCO3)cc(=O)c2-c2ccncc2)cc1
InChIInChI=1S/C27H32N2O3/c1-2-5-20-7-9-21(10-8-20)11-12-24-27(22-13-15-28-16-14-22)25(30)18-26(29-24)32-19-23-6-3-4-17-31-23/h7-10,13-16,18,23H,2-6,11-12,17,19H2,1H3,(H,29,30)
InChIKeyAKNFAPFMERTXRC-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.12
Rot. Bonds9

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

6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one (PubChem CID 166529992) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one
PubChem CID166529992
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one
SMILESCCCc1ccc(CCc2[nH]c(OCC3CCCCO3)cc(=O)c2-c2ccncc2)cc1
InChIInChI=1S/C27H32N2O3/c1-2-5-20-7-9-21(10-8-20)11-12-24-27(22-13-15-28-16-14-22)25(30)18-26(29-24)32-19-23-6-3-4-17-31-23/h7-10,13-16,18,23H,2-6,11-12,17,19H2,1H3,(H,29,30)
InChIKeyAKNFAPFMERTXRC-UHFFFAOYSA-N
XLogP5.12
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpyrrol-3-yl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166529871
3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166530024
methyl 2-[4-[6-[[(2R)-oxan-2-yl]methoxy]-4-oxo-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-3-yl]phenoxy]acetate
CID 166530000
3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166530038
3-butyl-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166530053
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
3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine
CID 166529965
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
5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524502
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one?
The IUPAC name of 6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one (CID 166529992) is 6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one.
What is the SMILES notation for 6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one?
The canonical SMILES for 6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one is CCCc1ccc(CCc2[nH]c(OCC3CCCCO3)cc(=O)c2-c2ccncc2)cc1.
What is the InChIKey of 6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one?
The InChIKey is AKNFAPFMERTXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-2-5-20-7-9-21(10-8-20)11-12-24-27(22-13-15-28-16-14-22)25(30)18-26(29-24)32-19-23-6-3-4-17-31-23/h7-10,13-16,18,23H,2-6,11-12,17,19H2,1H3,(H,29,30).
What are the key properties of 6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one?
6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one has a molecular weight of 432.56 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one is sourced from PubChem (CID 166529992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).