3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one

C17H20N2O — CID 10199257

IUPAC3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one
SMILESCCc1cn(-c2ccccn2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C17H20N2O/c1-4-12-11-19(15-7-5-6-8-18-15)13-9-17(2,3)10-14(20)16(12)13/h5-8,11H,4,9-10H2,1-3H3
InChIKeyDCZYRDAJEQVNFZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.59
Rot. Bonds2

About 3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one

3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one (PubChem CID 10199257) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one
PubChem CID10199257
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one
SMILESCCc1cn(-c2ccccn2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C17H20N2O/c1-4-12-11-19(15-7-5-6-8-18-15)13-9-17(2,3)10-14(20)16(12)13/h5-8,11H,4,9-10H2,1-3H3
InChIKeyDCZYRDAJEQVNFZ-UHFFFAOYSA-N
XLogP3.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Bromo-3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one
CID 4073986
1-(2-Amino-4-methyl-quinazolin-7-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-indol-4-one
CID 25061752
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
1-(4-Amino-2-methyl-quinazolin-7-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-indol-4-one
CID 25060727
1-(4-Amino-8-fluoro-quinazolin-7-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-indol-4-one
CID 25060729
1-(2-Amino-quinazolin-7-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-indol-4-one
CID 25061495
1-[3-(4-Fluorophenyl)-1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrrol-2-yl]ethanone
CID 44419816
1-(4-Amino-quinazolin-7-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-indol-4-one
CID 59213787
(2,5-difluorophenyl){1-[(1-pyridin-2-yl-1H-pyrrol-2-yl)methyl]piperidin-3-yl}methanone
CID 16190194
CID 129907727
CID 129907727
CID 129907741
CID 129907741
1-(2,4-Diamino-quinazolin-7-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-indol-4-one
CID 25060728

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one?
The IUPAC name of 3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one (CID 10199257) is 3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one.
What is the SMILES notation for 3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one?
The canonical SMILES for 3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one is CCc1cn(-c2ccccn2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one?
The InChIKey is DCZYRDAJEQVNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-4-12-11-19(15-7-5-6-8-18-15)13-9-17(2,3)10-14(20)16(12)13/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one?
3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one has a molecular weight of 268.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindol-4-one is sourced from PubChem (CID 10199257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).