3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C18H23N7O3 — CID 146521985

IUPAC3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESO=C(CCN1C(=O)C2(CCCCC2)NC1O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C18H23N7O3/c26-13(20-16-21-14(23-24-16)12-6-2-5-10-19-12)7-11-25-15(27)18(22-17(25)28)8-3-1-4-9-18/h2,5-6,10,17,22,28H,1,3-4,7-9,11H2,(H2,20,21,23,24,26)
InChIKeyCRABZKWFRGUKHJ-UHFFFAOYSA-N
MW385.43 g/mol
LogP0.61
Rot. Bonds5

About 3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 146521985) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID146521985
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESO=C(CCN1C(=O)C2(CCCCC2)NC1O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C18H23N7O3/c26-13(20-16-21-14(23-24-16)12-6-2-5-10-19-12)7-11-25-15(27)18(22-17(25)28)8-3-1-4-9-18/h2,5-6,10,17,22,28H,1,3-4,7-9,11H2,(H2,20,21,23,24,26)
InChIKeyCRABZKWFRGUKHJ-UHFFFAOYSA-N
XLogP0.61
TPSA136.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 146521985) is 3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is O=C(CCN1C(=O)C2(CCCCC2)NC1O)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is CRABZKWFRGUKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c26-13(20-16-21-14(23-24-16)12-6-2-5-10-19-12)7-11-25-15(27)18(22-17(25)28)8-3-1-4-9-18/h2,5-6,10,17,22,28H,1,3-4,7-9,11H2,(H2,20,21,23,24,26).
What are the key properties of 3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 385.43 g/mol, XLogP of 0.61, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 146521985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).