1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone

C22H22N2O2 — CID 38298373

IUPAC1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(=O)N3CC=C(c4ccccc4)CC3)ccc21
InChIInChI=1S/C22H22N2O2/c1-16(25)24-14-11-19-15-20(7-8-21(19)24)22(26)23-12-9-18(10-13-23)17-5-3-2-4-6-17/h2-9,15H,10-14H2,1H3
InChIKeyZUJFKCYEDGMNGY-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.53
Rot. Bonds2

About 1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone

1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 38298373) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID38298373
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(=O)N3CC=C(c4ccccc4)CC3)ccc21
InChIInChI=1S/C22H22N2O2/c1-16(25)24-14-11-19-15-20(7-8-21(19)24)22(26)23-12-9-18(10-13-23)17-5-3-2-4-6-17/h2-9,15H,10-14H2,1H3
InChIKeyZUJFKCYEDGMNGY-UHFFFAOYSA-N
XLogP3.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
[4-(dimethylamino)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167889
3-methyl-7-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-quinolin-2-one
CID 59474898
(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38295435
(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 61292889
1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 134020729
[3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38168300
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 26877544
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
(2-methylsulfanylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 18106500

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone (CID 38298373) is 1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(C(=O)N3CC=C(c4ccccc4)CC3)ccc21.
What is the InChIKey of 1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ZUJFKCYEDGMNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16(25)24-14-11-19-15-20(7-8-21(19)24)22(26)23-12-9-18(10-13-23)17-5-3-2-4-6-17/h2-9,15H,10-14H2,1H3.
What are the key properties of 1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 38298373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).