3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one

C23H22N2O2 — CID 7598708

IUPAC3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one
SMILESCc1ccc(C)c(Cn2cccc(C(=O)N3CCc4ccccc43)c2=O)c1
InChIInChI=1S/C23H22N2O2/c1-16-9-10-17(2)19(14-16)15-24-12-5-7-20(22(24)26)23(27)25-13-11-18-6-3-4-8-21(18)25/h3-10,12,14H,11,13,15H2,1-2H3
InChIKeyQCDPQHIICSDWCP-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.72
Rot. Bonds3

About 3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one

3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one (PubChem CID 7598708) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one
PubChem CID7598708
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one
SMILESCc1ccc(C)c(Cn2cccc(C(=O)N3CCc4ccccc43)c2=O)c1
InChIInChI=1S/C23H22N2O2/c1-16-9-10-17(2)19(14-16)15-24-12-5-7-20(22(24)26)23(27)25-13-11-18-6-3-4-8-21(18)25/h3-10,12,14H,11,13,15H2,1-2H3
InChIKeyQCDPQHIICSDWCP-UHFFFAOYSA-N
XLogP3.72
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 7598862
2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547315
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598678
N-(4-carbamoylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598720
4-(2,3-dihydroindole-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 110698689
(2,5-dimethylphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride
CID 119521196
2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone
CID 113207338
N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598690
1-[(2,5-dimethylphenyl)methyl]-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598660
N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 8670906
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one?
The IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one (CID 7598708) is 3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one is Cc1ccc(C)c(Cn2cccc(C(=O)N3CCc4ccccc43)c2=O)c1.
What is the InChIKey of 3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one?
The InChIKey is QCDPQHIICSDWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16-9-10-17(2)19(14-16)15-24-12-5-7-20(22(24)26)23(27)25-13-11-18-6-3-4-8-21(18)25/h3-10,12,14H,11,13,15H2,1-2H3.
What are the key properties of 3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one?
3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one has a molecular weight of 358.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindole-1-carbonyl)-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 7598708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).