2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide

C14H20N2O2 — CID 119062728

IUPAC2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide
SMILESO=C(CC1CCCOC1)NCCc1cccnc1
InChIInChI=1S/C14H20N2O2/c17-14(9-13-4-2-8-18-11-13)16-7-5-12-3-1-6-15-10-12/h1,3,6,10,13H,2,4-5,7-9,11H2,(H,16,17)
InChIKeyVJORHWPJHFBPPR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.56
Rot. Bonds5

About 2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide

2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide (PubChem CID 119062728) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide
PubChem CID119062728
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide
SMILESO=C(CC1CCCOC1)NCCc1cccnc1
InChIInChI=1S/C14H20N2O2/c17-14(9-13-4-2-8-18-11-13)16-7-5-12-3-1-6-15-10-12/h1,3,6,10,13H,2,4-5,7-9,11H2,(H,16,17)
InChIKeyVJORHWPJHFBPPR-UHFFFAOYSA-N
XLogP1.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 126425334
2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 119068773
2-piperidin-2-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160524
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
CID 105099703
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249
N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide
CID 170285785
N-(2-pyridin-3-ylethyl)oxepan-4-amine
CID 65082158
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide (CID 119062728) is 2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide is O=C(CC1CCCOC1)NCCc1cccnc1.
What is the InChIKey of 2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide?
The InChIKey is VJORHWPJHFBPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(9-13-4-2-8-18-11-13)16-7-5-12-3-1-6-15-10-12/h1,3,6,10,13H,2,4-5,7-9,11H2,(H,16,17).
What are the key properties of 2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide?
2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 119062728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).