6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one

C15H16N2O3 — CID 82517574

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one
SMILESCNCc1ccc(-c2ccc3c(c2)OCCO3)[nH]c1=O
InChIInChI=1S/C15H16N2O3/c1-16-9-11-2-4-12(17-15(11)18)10-3-5-13-14(8-10)20-7-6-19-13/h2-5,8,16H,6-7,9H2,1H3,(H,17,18)
InChIKeyGAPNOSHYXJCDKT-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.53
Rot. Bonds3

About 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one (PubChem CID 82517574) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one
PubChem CID82517574
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one
SMILESCNCc1ccc(-c2ccc3c(c2)OCCO3)[nH]c1=O
InChIInChI=1S/C15H16N2O3/c1-16-9-11-2-4-12(17-15(11)18)10-3-5-13-14(8-10)20-7-6-19-13/h2-5,8,16H,6-7,9H2,1H3,(H,17,18)
InChIKeyGAPNOSHYXJCDKT-UHFFFAOYSA-N
XLogP1.53
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651418
1-[5-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-methylmethanamine
CID 66160295
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 91872129
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1H-pyrimidin-6-one
CID 136692126
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]hydrazine
CID 116884079
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 10467085
8-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 23857776
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 116828367
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 92648916
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole
CID 67816809
N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 84664778
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82306774

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one (CID 82517574) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one is CNCc1ccc(-c2ccc3c(c2)OCCO3)[nH]c1=O.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one?
The InChIKey is GAPNOSHYXJCDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16-9-11-2-4-12(17-15(11)18)10-3-5-13-14(8-10)20-7-6-19-13/h2-5,8,16H,6-7,9H2,1H3,(H,17,18).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one has a molecular weight of 272.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 82517574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).