8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C23H23N3O2 — CID 659403

IUPAC8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(NCCc3ccccc3)nc(-c3ccco3)c2CO1
InChIInChI=1S/C23H23N3O2/c1-23(2)13-17-18(14-24)22(25-11-10-16-7-4-3-5-8-16)26-21(19(17)15-28-23)20-9-6-12-27-20/h3-9,12H,10-11,13,15H2,1-2H3,(H,25,26)
InChIKeyZICILCWQDGGMQM-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.72
Rot. Bonds5

About 8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 659403) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID659403
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(NCCc3ccccc3)nc(-c3ccco3)c2CO1
InChIInChI=1S/C23H23N3O2/c1-23(2)13-17-18(14-24)22(25-11-10-16-7-4-3-5-8-16)26-21(19(17)15-28-23)20-9-6-12-27-20/h3-9,12H,10-11,13,15H2,1-2H3,(H,25,26)
InChIKeyZICILCWQDGGMQM-UHFFFAOYSA-N
XLogP4.72
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 659403) is 8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(NCCc3ccccc3)nc(-c3ccco3)c2CO1.
What is the InChIKey of 8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is ZICILCWQDGGMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-23(2)13-17-18(14-24)22(25-11-10-16-7-4-3-5-8-16)26-21(19(17)15-28-23)20-9-6-12-27-20/h3-9,12H,10-11,13,15H2,1-2H3,(H,25,26).
What are the key properties of 8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 373.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 659403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).