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

C19H27N3O2 — CID 657441

IUPAC3,3-dimethyl-8-(2-methylpropyl)-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)Cc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H27N3O2/c1-13(2)9-17-16-12-24-19(3,4)10-14(16)15(11-20)18(21-17)22-5-7-23-8-6-22/h13H,5-10,12H2,1-4H3
InChIKeyUPIGVRAILKROSU-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.84
Rot. Bonds3

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

3,3-dimethyl-8-(2-methylpropyl)-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 657441) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3,3-dimethyl-8-(2-methylpropyl)-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-8-(2-methylpropyl)-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID657441
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3,3-dimethyl-8-(2-methylpropyl)-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)Cc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H27N3O2/c1-13(2)9-17-16-12-24-19(3,4)10-14(16)15(11-20)18(21-17)22-5-7-23-8-6-22/h13H,5-10,12H2,1-4H3
InChIKeyUPIGVRAILKROSU-UHFFFAOYSA-N
XLogP2.84
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-(2-methylpropyl)-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-8-(2-methylpropyl)-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 657441) is 3,3-dimethyl-8-(2-methylpropyl)-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-8-(2-methylpropyl)-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-8-(2-methylpropyl)-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC(C)Cc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 3,3-dimethyl-8-(2-methylpropyl)-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is UPIGVRAILKROSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(2)9-17-16-12-24-19(3,4)10-14(16)15(11-20)18(21-17)22-5-7-23-8-6-22/h13H,5-10,12H2,1-4H3.
What are the key properties of 3,3-dimethyl-8-(2-methylpropyl)-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
3,3-dimethyl-8-(2-methylpropyl)-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 329.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-(2-methylpropyl)-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 657441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).