2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile

C18H24N4O2 — CID 72870786

IUPAC2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC3(CCCN(CCO)C3=O)C2)n1
InChIInChI=1S/C18H24N4O2/c1-13-10-14(2)20-16(15(13)11-19)22-7-5-18(12-22)4-3-6-21(8-9-23)17(18)24/h10,23H,3-9,12H2,1-2H3
InChIKeyQKROPYSACWKIIE-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.38
Rot. Bonds3

About 2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile

2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 72870786) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID72870786
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC3(CCCN(CCO)C3=O)C2)n1
InChIInChI=1S/C18H24N4O2/c1-13-10-14(2)20-16(15(13)11-19)22-7-5-18(12-22)4-3-6-21(8-9-23)17(18)24/h10,23H,3-9,12H2,1-2H3
InChIKeyQKROPYSACWKIIE-UHFFFAOYSA-N
XLogP1.38
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-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-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile (CID 72870786) is 2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCC3(CCCN(CCO)C3=O)C2)n1.
What is the InChIKey of 2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is QKROPYSACWKIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-10-14(2)20-16(15(13)11-19)22-7-5-18(12-22)4-3-6-21(8-9-23)17(18)24/h10,23H,3-9,12H2,1-2H3.
What are the key properties of 2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile?
2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 328.42 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 72870786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).