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

C21H26N4O3 — CID 659343

IUPAC8-(furan-2-yl)-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(NCCN3CCOCC3)nc(-c3ccco3)c2CO1
InChIInChI=1S/C21H26N4O3/c1-21(2)12-15-16(13-22)20(23-5-6-25-7-10-26-11-8-25)24-19(17(15)14-28-21)18-4-3-9-27-18/h3-4,9H,5-8,10-12,14H2,1-2H3,(H,23,24)
InChIKeyFLVITRMBYLJIPL-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.81
Rot. Bonds5

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

8-(furan-2-yl)-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 659343) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 8-(furan-2-yl)-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-(furan-2-yl)-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID659343
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name8-(furan-2-yl)-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(NCCN3CCOCC3)nc(-c3ccco3)c2CO1
InChIInChI=1S/C21H26N4O3/c1-21(2)12-15-16(13-22)20(23-5-6-25-7-10-26-11-8-25)24-19(17(15)14-28-21)18-4-3-9-27-18/h3-4,9H,5-8,10-12,14H2,1-2H3,(H,23,24)
InChIKeyFLVITRMBYLJIPL-UHFFFAOYSA-N
XLogP2.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-(furan-2-yl)-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 659343) is 8-(furan-2-yl)-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-(furan-2-yl)-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-(furan-2-yl)-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(NCCN3CCOCC3)nc(-c3ccco3)c2CO1.
What is the InChIKey of 8-(furan-2-yl)-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is FLVITRMBYLJIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-21(2)12-15-16(13-22)20(23-5-6-25-7-10-26-11-8-25)24-19(17(15)14-28-21)18-4-3-9-27-18/h3-4,9H,5-8,10-12,14H2,1-2H3,(H,23,24).
What are the key properties of 8-(furan-2-yl)-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-(furan-2-yl)-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 382.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 659343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).