N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

C17H24N4O3 — CID 97372506

IUPACN,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)CN(Cc1ccccn1)C(=O)CO2
InChIInChI=1S/C17H24N4O3/c1-19(2)16(23)20-9-6-17(7-10-20)13-21(15(22)12-24-17)11-14-5-3-4-8-18-14/h3-5,8H,6-7,9-13H2,1-2H3
InChIKeyZPJRCMJTESMVLO-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.96
Rot. Bonds2

About N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 97372506) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID97372506
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)CN(Cc1ccccn1)C(=O)CO2
InChIInChI=1S/C17H24N4O3/c1-19(2)16(23)20-9-6-17(7-10-20)13-21(15(22)12-24-17)11-14-5-3-4-8-18-14/h3-5,8H,6-7,9-13H2,1-2H3
InChIKeyZPJRCMJTESMVLO-UHFFFAOYSA-N
XLogP0.96
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide 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 N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (CID 97372506) is N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is CN(C)C(=O)N1CCC2(CC1)CN(Cc1ccccn1)C(=O)CO2.
What is the InChIKey of N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is ZPJRCMJTESMVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-19(2)16(23)20-9-6-17(7-10-20)13-21(15(22)12-24-17)11-14-5-3-4-8-18-14/h3-5,8H,6-7,9-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 97372506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).