4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one

C26H23NO4 — CID 54681354

IUPAC4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one
SMILESCCC(c1ccccc1)c1c(O)cc(-c2ccc(OCc3cccnc3)cc2)oc1=O
InChIInChI=1S/C26H23NO4/c1-2-22(19-8-4-3-5-9-19)25-23(28)15-24(31-26(25)29)20-10-12-21(13-11-20)30-17-18-7-6-14-27-16-18/h3-16,22,28H,2,17H2,1H3
InChIKeyNDWRJGVXOGZUCK-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.53
Rot. Bonds7

About 4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one

4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one (PubChem CID 54681354) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one
PubChem CID54681354
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one
SMILESCCC(c1ccccc1)c1c(O)cc(-c2ccc(OCc3cccnc3)cc2)oc1=O
InChIInChI=1S/C26H23NO4/c1-2-22(19-8-4-3-5-9-19)25-23(28)15-24(31-26(25)29)20-10-12-21(13-11-20)30-17-18-7-6-14-27-16-18/h3-16,22,28H,2,17H2,1H3
InChIKeyNDWRJGVXOGZUCK-UHFFFAOYSA-N
XLogP5.53
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[4-hydroxy-2-oxo-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-3-yl]oxymethyl]benzoate
CID 54730349
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(4-phenylmethoxyphenyl)methyl]-6-methylpyran-2-one
CID 122372555
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
2-[[[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95567478
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one
CID 177372129
(2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 99791750
2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid
CID 122415289
N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 43060066
(2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide
CID 95767486

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one?
The IUPAC name of 4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one (CID 54681354) is 4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one is CCC(c1ccccc1)c1c(O)cc(-c2ccc(OCc3cccnc3)cc2)oc1=O.
What is the InChIKey of 4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one?
The InChIKey is NDWRJGVXOGZUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-2-22(19-8-4-3-5-9-19)25-23(28)15-24(31-26(25)29)20-10-12-21(13-11-20)30-17-18-7-6-14-27-16-18/h3-16,22,28H,2,17H2,1H3.
What are the key properties of 4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one?
4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one has a molecular weight of 413.47 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one is sourced from PubChem (CID 54681354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).