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

C20H25N3O2 — CID 3383442

IUPAC6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCN(C)c1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C20H25N3O2/c1-5-6-9-23(4)19-15(12-21)14-11-20(2,3)25-13-16(14)18(22-19)17-8-7-10-24-17/h7-8,10H,5-6,9,11,13H2,1-4H3
InChIKeyCEWROLPLHGNJSD-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.30
Rot. Bonds5

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

6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 3383442) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID3383442
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCN(C)c1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C20H25N3O2/c1-5-6-9-23(4)19-15(12-21)14-11-20(2,3)25-13-16(14)18(22-19)17-8-7-10-24-17/h7-8,10H,5-6,9,11,13H2,1-4H3
InChIKeyCEWROLPLHGNJSD-UHFFFAOYSA-N
XLogP4.30
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-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
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
2-Amino-6-(5-methylfuran-2-yl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 661059
2-Amino-4-(4-fluorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 705445
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
2-Amino-6-(5-methyl-furan-2-yl)-4-phenyl-nicotinonitrile
CID 649080
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

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 3383442) is 6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCCCN(C)c1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2.
What is the InChIKey of 6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is CEWROLPLHGNJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-6-9-23(4)19-15(12-21)14-11-20(2,3)25-13-16(14)18(22-19)17-8-7-10-24-17/h7-8,10H,5-6,9,11,13H2,1-4H3.
What are the key properties of 6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 339.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 3383442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).