2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide

C15H22N2O3 — CID 126425334

IUPAC2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
SMILESO=C(C[C@@H]1CCCOC1)NCCCOc1cccnc1
InChIInChI=1S/C15H22N2O3/c18-15(10-13-4-2-8-19-12-13)17-7-3-9-20-14-5-1-6-16-11-14/h1,5-6,11,13H,2-4,7-10,12H2,(H,17,18)/t13-/m0/s1
InChIKeyIYLHHPQYIITNGJ-ZDUSSCGKSA-N
MW278.35 g/mol
LogP1.78
Rot. Bonds7

About 2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide

2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide (PubChem CID 126425334) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
PubChem CID126425334
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
SMILESO=C(C[C@@H]1CCCOC1)NCCCOc1cccnc1
InChIInChI=1S/C15H22N2O3/c18-15(10-13-4-2-8-19-12-13)17-7-3-9-20-14-5-1-6-16-11-14/h1,5-6,11,13H,2-4,7-10,12H2,(H,17,18)/t13-/m0/s1
InChIKeyIYLHHPQYIITNGJ-ZDUSSCGKSA-N
XLogP1.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide
CID 119062728
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 97116698
N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine
CID 62935741
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide
CID 124626187
3-(oxazinan-2-yl)-N-(3-pyridin-3-yloxypropyl)propanamide
CID 46984120
2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
CID 131911826
(2S)-2-methyl-N-(3-pyridin-3-yloxypropyl)oxolane-2-carboxamide
CID 126429268
(2R)-2-methyl-N-(3-pyridin-3-yloxypropyl)oxolane-2-carboxamide
CID 126429271
2-(1-hydroxycyclopentyl)-N-(2-pyridin-3-yloxyethyl)acetamide
CID 111538743
1-morpholin-4-yl-N-(3-pyridin-3-yloxypropyl)cyclohexane-1-carboxamide
CID 118774806
(4S)-4-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)azepane-1-carboxamide
CID 126448105
3-(3-pyridin-3-yloxypropanoylamino)propanoic acid
CID 110837112

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide?
The IUPAC name of 2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide (CID 126425334) is 2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide.
What is the SMILES notation for 2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide?
The canonical SMILES for 2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide is O=C(C[C@@H]1CCCOC1)NCCCOc1cccnc1.
What is the InChIKey of 2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide?
The InChIKey is IYLHHPQYIITNGJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-15(10-13-4-2-8-19-12-13)17-7-3-9-20-14-5-1-6-16-11-14/h1,5-6,11,13H,2-4,7-10,12H2,(H,17,18)/t13-/m0/s1.
What are the key properties of 2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide?
2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide is sourced from PubChem (CID 126425334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).