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

C19H23N3O2 — CID 664838

IUPAC6-(furan-2-ylmethylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCc1nc(NCc2ccco2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H23N3O2/c1-4-6-17-16-12-24-19(2,3)9-14(16)15(10-20)18(22-17)21-11-13-7-5-8-23-13/h5,7-8H,4,6,9,11-12H2,1-3H3,(H,21,22)
InChIKeyHQXKEYSITRFAGY-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.96
Rot. Bonds5

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

6-(furan-2-ylmethylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 664838) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 6-(furan-2-ylmethylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(furan-2-ylmethylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID664838
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name6-(furan-2-ylmethylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCc1nc(NCc2ccco2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H23N3O2/c1-4-6-17-16-12-24-19(2,3)9-14(16)15(10-20)18(22-17)21-11-13-7-5-8-23-13/h5,7-8H,4,6,9,11-12H2,1-3H3,(H,21,22)
InChIKeyHQXKEYSITRFAGY-UHFFFAOYSA-N
XLogP3.96
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(furan-2-ylmethylamino)-3,3-dimethyl-8-propyl-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
2-Amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile
CID 748950
2-Amino-5-butyl-4-(furan-2-yl)-6-pentylpyridine-3-carbonitrile
CID 1897510
2-(furan-2-ylmethylamino)-4-methyl-1H-quinolin-7-one
CID 5307674
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

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-(furan-2-ylmethylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 664838) is 6-(furan-2-ylmethylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(furan-2-ylmethylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-(furan-2-ylmethylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCCc1nc(NCc2ccco2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 6-(furan-2-ylmethylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is HQXKEYSITRFAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-6-17-16-12-24-19(2,3)9-14(16)15(10-20)18(22-17)21-11-13-7-5-8-23-13/h5,7-8H,4,6,9,11-12H2,1-3H3,(H,21,22).
What are the key properties of 6-(furan-2-ylmethylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-(furan-2-ylmethylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 325.41 g/mol, XLogP of 3.96, 5 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-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 664838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).