1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone

C22H22N2O — CID 113086670

IUPAC1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H22N2O/c1-16-6-2-3-7-18(16)14-22(25)24-12-10-17(11-13-24)20-15-23-21-9-5-4-8-19(20)21/h2-10,15,23H,11-14H2,1H3
InChIKeyUFFBNRAPHWGGLE-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.33
Rot. Bonds3

About 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone

1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 113086670) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID113086670
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H22N2O/c1-16-6-2-3-7-18(16)14-22(25)24-12-10-17(11-13-24)20-15-23-21-9-5-4-8-19(20)21/h2-10,15,23H,11-14H2,1H3
InChIKeyUFFBNRAPHWGGLE-UHFFFAOYSA-N
XLogP4.33
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086905
1-(4-bromophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butane-1,4-dione
CID 46699859
4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
CID 20916512
2-(5-amino-2-methylphenyl)-1-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 22714419
1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-methylphenyl)ethanone
CID 113086953
3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 71867021
N-cyclopentyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
CID 20916507
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 110931231
2-(1H-indol-3-yl)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114390129
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71705869
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087040
N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
CID 20916506

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone (CID 113086670) is 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is UFFBNRAPHWGGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-16-6-2-3-7-18(16)14-22(25)24-12-10-17(11-13-24)20-15-23-21-9-5-4-8-19(20)21/h2-10,15,23H,11-14H2,1H3.
What are the key properties of 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone?
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 330.43 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 113086670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).