3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile

C19H25N5O2 — CID 16739627

IUPAC3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC2(CC1)CCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C19H25N5O2/c20-13-16-17(22-9-8-21-16)23-10-5-19(6-11-23)7-12-24(18(19)26)14-1-3-15(25)4-2-14/h8-9,14-15,25H,1-7,10-12H2
InChIKeyHQEAZAAUCFZNIN-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.47
Rot. Bonds2

About 3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile

3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile (PubChem CID 16739627) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile
PubChem CID16739627
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC2(CC1)CCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C19H25N5O2/c20-13-16-17(22-9-8-21-16)23-10-5-19(6-11-23)7-12-24(18(19)26)14-1-3-15(25)4-2-14/h8-9,14-15,25H,1-7,10-12H2
InChIKeyHQEAZAAUCFZNIN-UHFFFAOYSA-N
XLogP1.47
TPSA93.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 16739687
8-(3,6-Dimethylpyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 16739716
3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile
CID 66722416
3-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile
CID 67503897
3-(2-Cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile
CID 143482725
3-[rel-(5R,6R)-5-hydroxy-8-(3-methylbutanoyl)-2,8-diazaspiro[5.5]undec-2-yl]-2-pyrazinecarbonitrile
CID 145933901
3-[2-(Cyclopropylmethyl)-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undec-9-yl]-2-pyrazinecarbonitrile
CID 172423284

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile (CID 16739627) is 3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC2(CC1)CCN(C1CCC(O)CC1)C2=O.
What is the InChIKey of 3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile?
The InChIKey is HQEAZAAUCFZNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c20-13-16-17(22-9-8-21-16)23-10-5-19(6-11-23)7-12-24(18(19)26)14-1-3-15(25)4-2-14/h8-9,14-15,25H,1-7,10-12H2.
What are the key properties of 3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile?
3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile has a molecular weight of 355.44 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 16739627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).