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

C17H19N3O2 — CID 664448

IUPAC6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1nc(NCc2ccco2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C17H19N3O2/c1-11-15-10-22-17(2,3)7-13(15)14(8-18)16(20-11)19-9-12-5-4-6-21-12/h4-6H,7,9-10H2,1-3H3,(H,19,20)
InChIKeyDXWJCQUICVAIDC-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.32
Rot. Bonds3

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

6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 664448) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID664448
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1nc(NCc2ccco2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C17H19N3O2/c1-11-15-10-22-17(2,3)7-13(15)14(8-18)16(20-11)19-9-12-5-4-6-21-12/h4-6H,7,9-10H2,1-3H3,(H,19,20)
InChIKeyDXWJCQUICVAIDC-UHFFFAOYSA-N
XLogP3.32
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile with MolForge

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Related Compounds

2-Amino-6-furan-2-yl-4-phenyl-nicotinonitrile
CID 24950370
6-{[(3s,4s)-4-{2-[(Furan-2-Ylmethyl)amino]ethoxy}pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
CID 56835764
1-(Furan-2-yl)-3-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 658252
1-(Furan-2-yl)-3-(3-hydroxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 1888319
8-(Furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
CID 625473
1-Furan-2-yl-3-piperazin-1-yl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile
CID 3724094
6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3,3-dimethyl-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 1051589
8-(furan-2-yl)-3,3-dimethyl-6-{[2-(morpholin-4-yl)ethyl]amino}-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 659343
8-(2-Furyl)-3,3-dimethyl-6-(phenethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 659403
8-(Furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 659439
8-(Furan-2-yl)-6-(furan-2-ylmethylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 659909
3-(Cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 845278

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 664448) is 6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is Cc1nc(NCc2ccco2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is DXWJCQUICVAIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-15-10-22-17(2,3)7-13(15)14(8-18)16(20-11)19-9-12-5-4-6-21-12/h4-6H,7,9-10H2,1-3H3,(H,19,20).
What are the key properties of 6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 297.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 664448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).