1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone

C16H16N2O — CID 82540878

IUPAC1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cncc(-c2ccc3c(c2)CCN3C)c1
InChIInChI=1S/C16H16N2O/c1-11(19)14-8-15(10-17-9-14)12-3-4-16-13(7-12)5-6-18(16)2/h3-4,7-10H,5-6H2,1-2H3
InChIKeyHLVPMQDTEQHVAB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.94
Rot. Bonds2

About 1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone

1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone (PubChem CID 82540878) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone
PubChem CID82540878
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cncc(-c2ccc3c(c2)CCN3C)c1
InChIInChI=1S/C16H16N2O/c1-11(19)14-8-15(10-17-9-14)12-3-4-16-13(7-12)5-6-18(16)2/h3-4,7-10H,5-6H2,1-2H3
InChIKeyHLVPMQDTEQHVAB-UHFFFAOYSA-N
XLogP2.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone
CID 82536649
1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
CID 121385714
5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile
CID 121385664
1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid
CID 117396362
methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate
CID 66576773
N,N-dimethyl-5-(1-methyl-2-oxo-3H-indol-5-yl)pyridine-3-carboxamide
CID 66793912
methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate
CID 80573858
2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid
CID 82039411
N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide
CID 89439796
5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 90850295
hexane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091683

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone (CID 82540878) is 1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone is CC(=O)c1cncc(-c2ccc3c(c2)CCN3C)c1.
What is the InChIKey of 1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone?
The InChIKey is HLVPMQDTEQHVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11(19)14-8-15(10-17-9-14)12-3-4-16-13(7-12)5-6-18(16)2/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone?
1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone has a molecular weight of 252.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 82540878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).