8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

C16H20ClN3O3 — CID 70728690

IUPAC8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2)CC1=O
InChIInChI=1S/C16H20ClN3O3/c1-2-19-10-16(8-13(19)21)3-5-20(6-4-16)15(23)11-7-12(17)14(22)18-9-11/h7,9H,2-6,8,10H2,1H3,(H,18,22)
InChIKeyYVUNRXKFCDVMLW-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.50
Rot. Bonds2

About 8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70728690) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70728690
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2)CC1=O
InChIInChI=1S/C16H20ClN3O3/c1-2-19-10-16(8-13(19)21)3-5-20(6-4-16)15(23)11-7-12(17)14(22)18-9-11/h7,9H,2-6,8,10H2,1H3,(H,18,22)
InChIKeyYVUNRXKFCDVMLW-UHFFFAOYSA-N
XLogP1.50
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-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 8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (CID 70728690) is 8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2)CC1=O.
What is the InChIKey of 8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YVUNRXKFCDVMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-2-19-10-16(8-13(19)21)3-5-20(6-4-16)15(23)11-7-12(17)14(22)18-9-11/h7,9H,2-6,8,10H2,1H3,(H,18,22).
What are the key properties of 8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 337.81 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70728690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).