6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate

C26H31NO5 — CID 162356914

IUPAC6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCCCCCOc1cncc2oc(=O)c(-c3ccccc3)cc12
InChIInChI=1S/C26H31NO5/c1-4-26(2,3)25(29)31-15-11-6-5-10-14-30-22-17-27-18-23-21(22)16-20(24(28)32-23)19-12-8-7-9-13-19/h7-9,12-13,16-18H,4-6,10-11,14-15H2,1-3H3
InChIKeyIWLKMOBFLCZJGE-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.77
Rot. Bonds11

About 6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate

6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate (PubChem CID 162356914) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is 6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate
PubChem CID162356914
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC Name6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCCCCCOc1cncc2oc(=O)c(-c3ccccc3)cc12
InChIInChI=1S/C26H31NO5/c1-4-26(2,3)25(29)31-15-11-6-5-10-14-30-22-17-27-18-23-21(22)16-20(24(28)32-23)19-12-8-7-9-13-19/h7-9,12-13,16-18H,4-6,10-11,14-15H2,1-3H3
InChIKeyIWLKMOBFLCZJGE-UHFFFAOYSA-N
XLogP5.77
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate with MolForge

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Related Compounds

9-[2-oxo-3-[3-(trifluoromethylsulfanyl)phenyl]pyrano[2,3-c]pyridin-6-yl]oxynonyl 2,2-dimethylbutanoate
CID 162357057
12-[2-methyl-4-(2-oxopyrano[2,3-b]pyridin-3-yl)phenoxy]dodecyl 2,2-dimethylbutanoate
CID 162356902
2-[2-[2-[2-[2-methyl-4-(2-oxopyrano[2,3-c]pyridin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate
CID 166860780
8-(2-oxo-3-phenylpyrano[2,3-b]pyridin-7-yl)oxyoctyl 2,2,3,5,5-pentamethylhexanoate
CID 162356920
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
[4,5-dihydroxy-8-[(2-phenyl-1-benzofuran-6-yl)oxy]octyl] 2,2-dimethylbutanoate
CID 154601562
6-anthracen-9-ylhexyl 2,2-dimethylbutanoate
CID 123366301
9-[3-(3-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-5-yl]oxynonyl 2,2,3,5,5-pentamethylhexanoate
CID 162356722
4-[5-[4-(2-methylprop-2-enoyloxy)butyl]-2-oxo-3-phenylchromen-7-yl]butyl 2-methylprop-2-enoate
CID 139472332
3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate
CID 123185629
6-[4-(4-cyanophenyl)phenoxy]hexyl 2,2-dimethylbutanoate
CID 58939408
6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate
CID 130432808

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate?
The IUPAC name of 6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate (CID 162356914) is 6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate.
What is the SMILES notation for 6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate?
The canonical SMILES for 6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCCCCCOc1cncc2oc(=O)c(-c3ccccc3)cc12.
What is the InChIKey of 6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate?
The InChIKey is IWLKMOBFLCZJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c1-4-26(2,3)25(29)31-15-11-6-5-10-14-30-22-17-27-18-23-21(22)16-20(24(28)32-23)19-12-8-7-9-13-19/h7-9,12-13,16-18H,4-6,10-11,14-15H2,1-3H3.
What are the key properties of 6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate?
6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate has a molecular weight of 437.54 g/mol, XLogP of 5.77, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-3-phenylpyrano[2,3-c]pyridin-5-yl)oxyhexyl 2,2-dimethylbutanoate is sourced from PubChem (CID 162356914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).