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

C21H32N4O2 — CID 658504

IUPAC8-butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCc1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C21H32N4O2/c1-4-5-6-19-18-15-27-21(2,3)13-16(18)17(14-22)20(24-19)23-7-8-25-9-11-26-12-10-25/h4-13,15H2,1-3H3,(H,23,24)
InChIKeyIRFRZHWIPJRSBX-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.89
Rot. Bonds7

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

8-butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 658504) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 8-butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID658504
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name8-butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCc1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C21H32N4O2/c1-4-5-6-19-18-15-27-21(2,3)13-16(18)17(14-22)20(24-19)23-7-8-25-9-11-26-12-10-25/h4-13,15H2,1-3H3,(H,23,24)
InChIKeyIRFRZHWIPJRSBX-UHFFFAOYSA-N
XLogP2.89
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 658504) is 8-butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCCCc1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 8-butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is IRFRZHWIPJRSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-4-5-6-19-18-15-27-21(2,3)13-16(18)17(14-22)20(24-19)23-7-8-25-9-11-26-12-10-25/h4-13,15H2,1-3H3,(H,23,24).
What are the key properties of 8-butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 372.51 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 658504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).