5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one

C13H18N2O2 — CID 62064416

IUPAC5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one
SMILESCCn1cc(NCC2CCC=CO2)ccc1=O
InChIInChI=1S/C13H18N2O2/c1-2-15-10-11(6-7-13(15)16)14-9-12-5-3-4-8-17-12/h4,6-8,10,12,14H,2-3,5,9H2,1H3
InChIKeyVTDBGMOYLBAVMB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.97
Rot. Bonds4

About 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one

5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one (PubChem CID 62064416) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one
PubChem CID62064416
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one
SMILESCCn1cc(NCC2CCC=CO2)ccc1=O
InChIInChI=1S/C13H18N2O2/c1-2-15-10-11(6-7-13(15)16)14-9-12-5-3-4-8-17-12/h4,6-8,10,12,14H,2-3,5,9H2,1H3
InChIKeyVTDBGMOYLBAVMB-UHFFFAOYSA-N
XLogP1.97
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one?
The IUPAC name of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one (CID 62064416) is 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one.
What is the SMILES notation for 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one?
The canonical SMILES for 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one is CCn1cc(NCC2CCC=CO2)ccc1=O.
What is the InChIKey of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one?
The InChIKey is VTDBGMOYLBAVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-15-10-11(6-7-13(15)16)14-9-12-5-3-4-8-17-12/h4,6-8,10,12,14H,2-3,5,9H2,1H3.
What are the key properties of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one?
5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-ethylpyridin-2-one is sourced from PubChem (CID 62064416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).