3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one

C14H22N2O2 — CID 45246825

IUPAC3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one
SMILESCCN(Cc1ccc[nH]c1=O)CC1CCCCO1
InChIInChI=1S/C14H22N2O2/c1-2-16(11-13-7-3-4-9-18-13)10-12-6-5-8-15-14(12)17/h5-6,8,13H,2-4,7,9-11H2,1H3,(H,15,17)
InChIKeyXBZQSFGUENNDQA-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.77
Rot. Bonds5

About 3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one

3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one (PubChem CID 45246825) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one
PubChem CID45246825
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one
SMILESCCN(Cc1ccc[nH]c1=O)CC1CCCCO1
InChIInChI=1S/C14H22N2O2/c1-2-16(11-13-7-3-4-9-18-13)10-12-6-5-8-15-14(12)17/h5-6,8,13H,2-4,7,9-11H2,1H3,(H,15,17)
InChIKeyXBZQSFGUENNDQA-UHFFFAOYSA-N
XLogP1.77
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one (CID 45246825) is 3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one is CCN(Cc1ccc[nH]c1=O)CC1CCCCO1.
What is the InChIKey of 3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one?
The InChIKey is XBZQSFGUENNDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-16(11-13-7-3-4-9-18-13)10-12-6-5-8-15-14(12)17/h5-6,8,13H,2-4,7,9-11H2,1H3,(H,15,17).
What are the key properties of 3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one?
3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(oxan-2-ylmethyl)amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 45246825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).