9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one

C19H29N3O2 — CID 70739020

IUPAC9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(Cc1[nH]cc(C)c(=O)c1C)CC2
InChIInChI=1S/C19H29N3O2/c1-4-22-13-19(6-5-17(22)23)7-9-21(10-8-19)12-16-15(3)18(24)14(2)11-20-16/h11H,4-10,12-13H2,1-3H3,(H,20,24)
InChIKeyNNAZXTXKMNTLMM-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.22
Rot. Bonds3

About 9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one

9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70739020) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70739020
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(Cc1[nH]cc(C)c(=O)c1C)CC2
InChIInChI=1S/C19H29N3O2/c1-4-22-13-19(6-5-17(22)23)7-9-21(10-8-19)12-16-15(3)18(24)14(2)11-20-16/h11H,4-10,12-13H2,1-3H3,(H,20,24)
InChIKeyNNAZXTXKMNTLMM-UHFFFAOYSA-N
XLogP2.22
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one 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 9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one (CID 70739020) is 9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(Cc1[nH]cc(C)c(=O)c1C)CC2.
What is the InChIKey of 9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NNAZXTXKMNTLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-22-13-19(6-5-17(22)23)7-9-21(10-8-19)12-16-15(3)18(24)14(2)11-20-16/h11H,4-10,12-13H2,1-3H3,(H,20,24).
What are the key properties of 9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 331.46 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70739020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).