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

C20H30N4O2 — CID 658478

IUPAC3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C20H30N4O2/c1-14(2)18-17-13-26-20(3,4)11-15(17)16(12-21)19(23-18)22-5-6-24-7-9-25-10-8-24/h14H,5-11,13H2,1-4H3,(H,22,23)
InChIKeySXYXPUJOCNREDZ-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.67
Rot. Bonds5

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

3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 658478) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID658478
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C20H30N4O2/c1-14(2)18-17-13-26-20(3,4)11-15(17)16(12-21)19(23-18)22-5-6-24-7-9-25-10-8-24/h14H,5-11,13H2,1-4H3,(H,22,23)
InChIKeySXYXPUJOCNREDZ-UHFFFAOYSA-N
XLogP2.67
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 658478) is 3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC(C)c1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is SXYXPUJOCNREDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14(2)18-17-13-26-20(3,4)11-15(17)16(12-21)19(23-18)22-5-6-24-7-9-25-10-8-24/h14H,5-11,13H2,1-4H3,(H,22,23).
What are the key properties of 3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 358.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 658478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).