2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile

C22H32N6O2 — CID 70785868

IUPAC2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile
SMILESCN(C)C1CCN(CCCN2CC3(CCN(c4ncccc4C#N)CC3)OC2=O)C1
InChIInChI=1S/C22H32N6O2/c1-25(2)19-6-12-26(16-19)10-4-11-28-17-22(30-21(28)29)7-13-27(14-8-22)20-18(15-23)5-3-9-24-20/h3,5,9,19H,4,6-8,10-14,16-17H2,1-2H3
InChIKeySWLMTVMZOWLFGX-UHFFFAOYSA-N
MW412.54 g/mol
LogP1.77
Rot. Bonds6

About 2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile

2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile (PubChem CID 70785868) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile
PubChem CID70785868
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile
SMILESCN(C)C1CCN(CCCN2CC3(CCN(c4ncccc4C#N)CC3)OC2=O)C1
InChIInChI=1S/C22H32N6O2/c1-25(2)19-6-12-26(16-19)10-4-11-28-17-22(30-21(28)29)7-13-27(14-8-22)20-18(15-23)5-3-9-24-20/h3,5,9,19H,4,6-8,10-14,16-17H2,1-2H3
InChIKeySWLMTVMZOWLFGX-UHFFFAOYSA-N
XLogP1.77
TPSA75.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]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-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile (CID 70785868) is 2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile is CN(C)C1CCN(CCCN2CC3(CCN(c4ncccc4C#N)CC3)OC2=O)C1.
What is the InChIKey of 2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile?
The InChIKey is SWLMTVMZOWLFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-25(2)19-6-12-26(16-19)10-4-11-28-17-22(30-21(28)29)7-13-27(14-8-22)20-18(15-23)5-3-9-24-20/h3,5,9,19H,4,6-8,10-14,16-17H2,1-2H3.
What are the key properties of 2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile?
2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile has a molecular weight of 412.54 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 70785868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).