5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one

C15H16N2O3 — CID 60931412

IUPAC5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one
SMILESCn1cc(NCc2cccc3c2OCCO3)ccc1=O
InChIInChI=1S/C15H16N2O3/c1-17-10-12(5-6-14(17)18)16-9-11-3-2-4-13-15(11)20-8-7-19-13/h2-6,10,16H,7-9H2,1H3
InChIKeyBZFKNBXRYAFBCC-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.77
Rot. Bonds3

About 5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one

5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one (PubChem CID 60931412) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one
PubChem CID60931412
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one
SMILESCn1cc(NCc2cccc3c2OCCO3)ccc1=O
InChIInChI=1S/C15H16N2O3/c1-17-10-12(5-6-14(17)18)16-9-11-3-2-4-13-15(11)20-8-7-19-13/h2-6,10,16H,7-9H2,1H3
InChIKeyBZFKNBXRYAFBCC-UHFFFAOYSA-N
XLogP1.77
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-methylpyrazol-4-amine
CID 43583958
5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
CID 112606610
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
CID 43583494
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-fluoropyridin-3-amine
CID 103825808
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3,4-dimethylaniline
CID 43583469
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline
CID 43672051
5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one
CID 83088804
3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-4-methylaniline
CID 43583335
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpropan-1-amine
CID 43583302
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884401
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552048
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-ethyl-1-methylpyrazol-4-amine
CID 103908992

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one (CID 60931412) is 5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one is Cn1cc(NCc2cccc3c2OCCO3)ccc1=O.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one?
The InChIKey is BZFKNBXRYAFBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17-10-12(5-6-14(17)18)16-9-11-3-2-4-13-15(11)20-8-7-19-13/h2-6,10,16H,7-9H2,1H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one?
5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one has a molecular weight of 272.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 60931412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).