1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C22H22N2O — CID 2551059

IUPAC1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H22N2O/c1-16-22(19-9-5-6-10-20(19)23-16)21(25)15-24-13-11-18(12-14-24)17-7-3-2-4-8-17/h2-11,23H,12-15H2,1H3
InChIKeyDVOWUGHVNPBJCX-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.45
Rot. Bonds4

About 1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 2551059) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID2551059
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H22N2O/c1-16-22(19-9-5-6-10-20(19)23-16)21(25)15-24-13-11-18(12-14-24)17-7-3-2-4-8-17/h2-11,23H,12-15H2,1H3
InChIKeyDVOWUGHVNPBJCX-UHFFFAOYSA-N
XLogP4.45
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 2551059) is 1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is DVOWUGHVNPBJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-16-22(19-9-5-6-10-20(19)23-16)21(25)15-24-13-11-18(12-14-24)17-7-3-2-4-8-17/h2-11,23H,12-15H2,1H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 330.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 2551059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).