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

C20H23N3O3 — CID 659439

IUPAC8-(furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(NCC3CCCO3)nc(-c3ccco3)c2CO1
InChIInChI=1S/C20H23N3O3/c1-20(2)9-14-15(10-21)19(22-11-13-5-3-7-24-13)23-18(16(14)12-26-20)17-6-4-8-25-17/h4,6,8,13H,3,5,7,9,11-12H2,1-2H3,(H,22,23)
InChIKeyPKIMSFACWMKGFN-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.66
Rot. Bonds4

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

8-(furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 659439) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 8-(furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-(furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID659439
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name8-(furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(NCC3CCCO3)nc(-c3ccco3)c2CO1
InChIInChI=1S/C20H23N3O3/c1-20(2)9-14-15(10-21)19(22-11-13-5-3-7-24-13)23-18(16(14)12-26-20)17-6-4-8-25-17/h4,6,8,13H,3,5,7,9,11-12H2,1-2H3,(H,22,23)
InChIKeyPKIMSFACWMKGFN-UHFFFAOYSA-N
XLogP3.66
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-(furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 659439) is 8-(furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-(furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-(furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(NCC3CCCO3)nc(-c3ccco3)c2CO1.
What is the InChIKey of 8-(furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is PKIMSFACWMKGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-20(2)9-14-15(10-21)19(22-11-13-5-3-7-24-13)23-18(16(14)12-26-20)17-6-4-8-25-17/h4,6,8,13H,3,5,7,9,11-12H2,1-2H3,(H,22,23).
What are the key properties of 8-(furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-(furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 353.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 659439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).