8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C23H20N2O4 — CID 658700

IUPAC8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(-c3ccoc3)c2CO1
InChIInChI=1S/C23H20N2O4/c1-23(2)10-17-18(11-24)22(28-14-20(26)15-6-4-3-5-7-15)25-21(19(17)13-29-23)16-8-9-27-12-16/h3-9,12H,10,13-14H2,1-2H3
InChIKeyIQOJUDDMZHTDSZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.33
Rot. Bonds5

About 8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 658700) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID658700
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(-c3ccoc3)c2CO1
InChIInChI=1S/C23H20N2O4/c1-23(2)10-17-18(11-24)22(28-14-20(26)15-6-4-3-5-7-15)25-21(19(17)13-29-23)16-8-9-27-12-16/h3-9,12H,10,13-14H2,1-2H3
InChIKeyIQOJUDDMZHTDSZ-UHFFFAOYSA-N
XLogP4.33
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 658700) is 8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(-c3ccoc3)c2CO1.
What is the InChIKey of 8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is IQOJUDDMZHTDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-23(2)10-17-18(11-24)22(28-14-20(26)15-6-4-3-5-7-15)25-21(19(17)13-29-23)16-8-9-27-12-16/h3-9,12H,10,13-14H2,1-2H3.
What are the key properties of 8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 388.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-yl)-3,3-dimethyl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 658700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).