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

C18H24N4O2 — CID 72843875

IUPAC6-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCC3(CCCN(CCO)C3=O)C2)nc(C)c1C#N
InChIInChI=1S/C18H24N4O2/c1-13-10-16(20-14(2)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
InChIKeyCZSDRIXCANQWHR-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.38
Rot. Bonds3

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

6-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 72843875) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-dimethylpyridine-3-carbonitrile
PubChem CID72843875
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCC3(CCCN(CCO)C3=O)C2)nc(C)c1C#N
InChIInChI=1S/C18H24N4O2/c1-13-10-16(20-14(2)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
InChIKeyCZSDRIXCANQWHR-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

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Frequently Asked Questions

What is the IUPAC name of 6-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-dimethylpyridine-3-carbonitrile (CID 72843875) is 6-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-dimethylpyridine-3-carbonitrile is Cc1cc(N2CCC3(CCCN(CCO)C3=O)C2)nc(C)c1C#N.
What is the InChIKey of 6-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is CZSDRIXCANQWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-10-16(20-14(2)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 6-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-dimethylpyridine-3-carbonitrile?
6-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-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 6-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 72843875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).