N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide

C17H24N2O4 — CID 167832965

IUPACN-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide
SMILESO=C(CCCOc1cccnc1)N[C@@H]1C[C@@H](O)C12CCOCC2
InChIInChI=1S/C17H24N2O4/c20-15-11-14(17(15)5-9-22-10-6-17)19-16(21)4-2-8-23-13-3-1-7-18-12-13/h1,3,7,12,14-15,20H,2,4-6,8-11H2,(H,19,21)/t14-,15-/m1/s1
InChIKeyOHAULBPSMGFJEV-HUUCEWRRSA-N
MW320.39 g/mol
LogP1.29
Rot. Bonds6

About N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide

N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide (PubChem CID 167832965) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide
PubChem CID167832965
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide
SMILESO=C(CCCOc1cccnc1)N[C@@H]1C[C@@H](O)C12CCOCC2
InChIInChI=1S/C17H24N2O4/c20-15-11-14(17(15)5-9-22-10-6-17)19-16(21)4-2-8-23-13-3-1-7-18-12-13/h1,3,7,12,14-15,20H,2,4-6,8-11H2,(H,19,21)/t14-,15-/m1/s1
InChIKeyOHAULBPSMGFJEV-HUUCEWRRSA-N
XLogP1.29
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide with MolForge

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Related Compounds

methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate
CID 99784600
N-(2-hydroxyphenyl)-4-pyridin-3-yloxybutanamide
CID 110487034
N-(3-hydroxyphenyl)-4-pyridin-3-yloxybutanamide
CID 110487035
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-phenoxybutanamide
CID 90651583
2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 126425334
3-hydroxy-2-(4-pyridin-3-yloxybutanoylamino)propanoic acid
CID 110486969
[4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine
CID 117051343
1-morpholin-4-yl-N-(3-pyridin-3-yloxypropyl)cyclohexane-1-carboxamide
CID 118774806
N,N-dimethyl-4-pyridin-3-yloxybutanamide
CID 110486958
(2R)-2-methyl-N-(3-pyridin-3-yloxypropyl)oxolane-2-carboxamide
CID 126429271
N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide
CID 136585800
(2S)-2-methyl-N-(3-pyridin-3-yloxypropyl)oxolane-2-carboxamide
CID 126429268

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide?
The IUPAC name of N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide (CID 167832965) is N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide.
What is the SMILES notation for N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide?
The canonical SMILES for N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide is O=C(CCCOc1cccnc1)N[C@@H]1C[C@@H](O)C12CCOCC2.
What is the InChIKey of N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide?
The InChIKey is OHAULBPSMGFJEV-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H24N2O4/c20-15-11-14(17(15)5-9-22-10-6-17)19-16(21)4-2-8-23-13-3-1-7-18-12-13/h1,3,7,12,14-15,20H,2,4-6,8-11H2,(H,19,21)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide?
N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide has a molecular weight of 320.39 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide is sourced from PubChem (CID 167832965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).