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

C20H31N3O — CID 695441

IUPAC6-(dipropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCN(CCC)c1nc(C(C)C)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C20H31N3O/c1-7-9-23(10-8-2)19-16(12-21)15-11-20(5,6)24-13-17(15)18(22-19)14(3)4/h14H,7-11,13H2,1-6H3
InChIKeyPDSBADUYBZKSFW-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.55
Rot. Bonds6

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

6-(dipropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 695441) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 6-(dipropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(dipropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID695441
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name6-(dipropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCN(CCC)c1nc(C(C)C)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C20H31N3O/c1-7-9-23(10-8-2)19-16(12-21)15-11-20(5,6)24-13-17(15)18(22-19)14(3)4/h14H,7-11,13H2,1-6H3
InChIKeyPDSBADUYBZKSFW-UHFFFAOYSA-N
XLogP4.55
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(dipropylamino)-3,3-dimethyl-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 6-(dipropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-(dipropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 695441) is 6-(dipropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(dipropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-(dipropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCCN(CCC)c1nc(C(C)C)c2c(c1C#N)CC(C)(C)OC2.
What is the InChIKey of 6-(dipropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is PDSBADUYBZKSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-7-9-23(10-8-2)19-16(12-21)15-11-20(5,6)24-13-17(15)18(22-19)14(3)4/h14H,7-11,13H2,1-6H3.
What are the key properties of 6-(dipropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-(dipropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 329.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 695441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).