2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile

C20H28N4O2 — CID 72930426

IUPAC2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC3(CCC(=O)N(CC(C)O)C3)CC2)n1
InChIInChI=1S/C20H28N4O2/c1-14-10-15(2)22-19(17(14)11-21)23-8-6-20(7-9-23)5-4-18(26)24(13-20)12-16(3)25/h10,16,25H,4-9,12-13H2,1-3H3
InChIKeyVJQZOZNVXMMFBV-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.16
Rot. Bonds3

About 2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile

2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 72930426) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID72930426
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC3(CCC(=O)N(CC(C)O)C3)CC2)n1
InChIInChI=1S/C20H28N4O2/c1-14-10-15(2)22-19(17(14)11-21)23-8-6-20(7-9-23)5-4-18(26)24(13-20)12-16(3)25/h10,16,25H,4-9,12-13H2,1-3H3
InChIKeyVJQZOZNVXMMFBV-UHFFFAOYSA-N
XLogP2.16
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile (CID 72930426) is 2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCC3(CCC(=O)N(CC(C)O)C3)CC2)n1.
What is the InChIKey of 2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is VJQZOZNVXMMFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-10-15(2)22-19(17(14)11-21)23-8-6-20(7-9-23)5-4-18(26)24(13-20)12-16(3)25/h10,16,25H,4-9,12-13H2,1-3H3.
What are the key properties of 2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile?
2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 356.47 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 72930426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).