6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione

C26H33NO4 — CID 162356794

IUPAC6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione
SMILESO=c1oc2cc(=O)n(CCCCCCCCCCCCO)cc2cc1-c1ccccc1
InChIInChI=1S/C26H33NO4/c28-17-13-8-6-4-2-1-3-5-7-12-16-27-20-22-18-23(21-14-10-9-11-15-21)26(30)31-24(22)19-25(27)29/h9-11,14-15,18-20,28H,1-8,12-13,16-17H2
InChIKeySQYXFESAMZTCHU-UHFFFAOYSA-N
MW423.55 g/mol
LogP5.51
Rot. Bonds13

About 6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione

6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione (PubChem CID 162356794) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is 6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione.

Molecular Properties

Compound Name6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione
PubChem CID162356794
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione
SMILESO=c1oc2cc(=O)n(CCCCCCCCCCCCO)cc2cc1-c1ccccc1
InChIInChI=1S/C26H33NO4/c28-17-13-8-6-4-2-1-3-5-7-12-16-27-20-22-18-23(21-14-10-9-11-15-21)26(30)31-24(22)19-25(27)29/h9-11,14-15,18-20,28H,1-8,12-13,16-17H2
InChIKeySQYXFESAMZTCHU-UHFFFAOYSA-N
XLogP5.51
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3E)-hexa-1,3,5-trien-3-yl]-6-(12-hydroxydodecyl)pyrano[3,2-c]pyridine-2,7-dione
CID 162357136
7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2,3-diamino-2-methylpropanoate
CID 162357037
11-[2,7-dioxo-3-[4-(trifluoromethoxy)phenyl]pyrano[3,2-c]pyridin-6-yl]undecyl 2,3-diaminopropanoate
CID 162356707
3-phenylchromen-2-one;hydrochloride
CID 141206894
7-(dimethylamino)-3-phenylchromen-2-one
CID 10611726
7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one
CID 153454846
7-(furan-2-yl)-3-phenylchromen-2-one
CID 59685532
1-(5-hydroxypentyl)-2-oxopyridine-4-carboxylic acid
CID 82901975
2-(2-oxo-3-phenylchromen-8-yl)acetic acid
CID 10107691
phosphono 2-oxo-3-phenylchromene-7-carboxylate
CID 57179300
5-amino-1-(5-hydroxypentyl)pyridin-2-one
CID 62228479
7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-phenylchromen-2-one
CID 7205030

Frequently Asked Questions

What is the IUPAC name of 6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione?
The IUPAC name of 6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione (CID 162356794) is 6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione.
What is the SMILES notation for 6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione?
The canonical SMILES for 6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione is O=c1oc2cc(=O)n(CCCCCCCCCCCCO)cc2cc1-c1ccccc1.
What is the InChIKey of 6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione?
The InChIKey is SQYXFESAMZTCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4/c28-17-13-8-6-4-2-1-3-5-7-12-16-27-20-22-18-23(21-14-10-9-11-15-21)26(30)31-24(22)19-25(27)29/h9-11,14-15,18-20,28H,1-8,12-13,16-17H2.
What are the key properties of 6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione?
6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione has a molecular weight of 423.55 g/mol, XLogP of 5.51, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(12-hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione is sourced from PubChem (CID 162356794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).