2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

C16H21N3O — CID 23855171

IUPAC2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCc1nc2c(c(N3CCCC3)c1C#N)COC(C)(C)C2
InChIInChI=1S/C16H21N3O/c1-11-12(9-17)15(19-6-4-5-7-19)13-10-20-16(2,3)8-14(13)18-11/h4-8,10H2,1-3H3
InChIKeyTVKQKLCBAZCPRS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.71
Rot. Bonds1

About 2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 23855171) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID23855171
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCc1nc2c(c(N3CCCC3)c1C#N)COC(C)(C)C2
InChIInChI=1S/C16H21N3O/c1-11-12(9-17)15(19-6-4-5-7-19)13-10-20-16(2,3)8-14(13)18-11/h4-8,10H2,1-3H3
InChIKeyTVKQKLCBAZCPRS-UHFFFAOYSA-N
XLogP2.71
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-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 2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (CID 23855171) is 2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is Cc1nc2c(c(N3CCCC3)c1C#N)COC(C)(C)C2.
What is the InChIKey of 2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is TVKQKLCBAZCPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-12(9-17)15(19-6-4-5-7-19)13-10-20-16(2,3)8-14(13)18-11/h4-8,10H2,1-3H3.
What are the key properties of 2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 271.36 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 23855171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).