3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole

C20H20N2 — CID 168941668

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole
SMILESCN1CCC=C(c2c[nH]c3ccc(-c4ccccc4)cc23)C1
InChIInChI=1S/C20H20N2/c1-22-11-5-8-17(14-22)19-13-21-20-10-9-16(12-18(19)20)15-6-3-2-4-7-15/h2-4,6-10,12-13,21H,5,11,14H2,1H3
InChIKeyFVDOTNUVKNDFOU-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.55
Rot. Bonds2

About 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole

3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole (PubChem CID 168941668) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole
PubChem CID168941668
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole
SMILESCN1CCC=C(c2c[nH]c3ccc(-c4ccccc4)cc23)C1
InChIInChI=1S/C20H20N2/c1-22-11-5-8-17(14-22)19-13-21-20-10-9-16(12-18(19)20)15-6-3-2-4-7-15/h2-4,6-10,12-13,21H,5,11,14H2,1H3
InChIKeyFVDOTNUVKNDFOU-UHFFFAOYSA-N
XLogP4.55
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 168941486
2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone
CID 23003762
2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 131953217
7-chloro-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
CID 168941761
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenoxy-1H-indole;oxalic acid
CID 44533059
5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane
CID 143668199
3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole
CID 126620559
2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid
CID 53316137
N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride
CID 67923514
2-(5-phenyl-1H-indol-3-yl)acetamide
CID 67245791
1-ethylsulfanyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1,2,5-thiadiazol-1-ium
CID 172711663
3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile
CID 166626970

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole (CID 168941668) is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole is CN1CCC=C(c2c[nH]c3ccc(-c4ccccc4)cc23)C1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole?
The InChIKey is FVDOTNUVKNDFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-22-11-5-8-17(14-22)19-13-21-20-10-9-16(12-18(19)20)15-6-3-2-4-7-15/h2-4,6-10,12-13,21H,5,11,14H2,1H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole?
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole has a molecular weight of 288.39 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole is sourced from PubChem (CID 168941668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).