ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone

C13H20N2O — CID 143089412

IUPACethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone
SMILESCC.CC(=O)C1Cc2ncccc2CN1C
InChIInChI=1S/C11H14N2O.C2H6/c1-8(14)11-6-10-9(7-13(11)2)4-3-5-12-10;1-2/h3-5,11H,6-7H2,1-2H3;1-2H3
InChIKeyUKSKCWBXEJLXFO-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.05
Rot. Bonds1

About ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone

ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone (PubChem CID 143089412) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone
PubChem CID143089412
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Nameethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone
SMILESCC.CC(=O)C1Cc2ncccc2CN1C
InChIInChI=1S/C11H14N2O.C2H6/c1-8(14)11-6-10-9(7-13(11)2)4-3-5-12-10;1-2/h3-5,11H,6-7H2,1-2H3;1-2H3
InChIKeyUKSKCWBXEJLXFO-UHFFFAOYSA-N
XLogP2.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 142416957
ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
CID 145087569
6,7-di(propan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 165372700
ethane;6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 90875415
ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline
CID 143143665
1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 167733667
cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121184511
tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 162342912
ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 162520423
1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)ethanethione
CID 88885145
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 64591291

Frequently Asked Questions

What is the IUPAC name of ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone?
The IUPAC name of ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone (CID 143089412) is ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone.
What is the SMILES notation for ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone?
The canonical SMILES for ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone is CC.CC(=O)C1Cc2ncccc2CN1C.
What is the InChIKey of ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone?
The InChIKey is UKSKCWBXEJLXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C2H6/c1-8(14)11-6-10-9(7-13(11)2)4-3-5-12-10;1-2/h3-5,11H,6-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone?
ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone has a molecular weight of 220.32 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone is sourced from PubChem (CID 143089412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).