6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile

C23H24N2O4 — CID 58061405

IUPAC6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile
SMILESCCc1ccc(Oc2ccc(C#N)cn2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O
InChIInChI=1S/C23H24N2O4/c1-6-15-8-9-16(28-18-10-7-14(12-24)13-25-18)11-17(15)19-20(26)22(2,3)29-23(4,5)21(19)27/h7-11,13,26H,6H2,1-5H3
InChIKeySZSIKGNPCSCNEG-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.73
Rot. Bonds4

About 6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile

6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile (PubChem CID 58061405) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile
PubChem CID58061405
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile
SMILESCCc1ccc(Oc2ccc(C#N)cn2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O
InChIInChI=1S/C23H24N2O4/c1-6-15-8-9-16(28-18-10-7-14(12-24)13-25-18)11-17(15)19-20(26)22(2,3)29-23(4,5)21(19)27/h7-11,13,26H,6H2,1-5H3
InChIKeySZSIKGNPCSCNEG-UHFFFAOYSA-N
XLogP4.73
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile (CID 58061405) is 6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile is CCc1ccc(Oc2ccc(C#N)cn2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O.
What is the InChIKey of 6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile?
The InChIKey is SZSIKGNPCSCNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-6-15-8-9-16(28-18-10-7-14(12-24)13-25-18)11-17(15)19-20(26)22(2,3)29-23(4,5)21(19)27/h7-11,13,26H,6H2,1-5H3.
What are the key properties of 6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile?
6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile has a molecular weight of 392.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-ethyl-3-(3-hydroxy-2,2,6,6-tetramethyl-5-oxopyran-4-yl)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 58061405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).