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

C21H20N2O — CID 23288143

IUPAC[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-phenylmethanone
SMILESCN1CC=C(c2cn(C(=O)c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C21H20N2O/c1-22-13-11-16(12-14-22)19-15-23(20-10-6-5-9-18(19)20)21(24)17-7-3-2-4-8-17/h2-11,15H,12-14H2,1H3
InChIKeyUYLBNFAFIUFFNL-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.05
Rot. Bonds2

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

[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-phenylmethanone (PubChem CID 23288143) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-phenylmethanone
PubChem CID23288143
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-phenylmethanone
SMILESCN1CC=C(c2cn(C(=O)c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C21H20N2O/c1-22-13-11-16(12-14-22)19-15-23(20-10-6-5-9-18(19)20)21(24)17-7-3-2-4-8-17/h2-11,15H,12-14H2,1H3
InChIKeyUYLBNFAFIUFFNL-UHFFFAOYSA-N
XLogP4.05
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-phenylmethanone?
The IUPAC name of [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-phenylmethanone (CID 23288143) is [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-phenylmethanone.
What is the SMILES notation for [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-phenylmethanone?
The canonical SMILES for [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-phenylmethanone is CN1CC=C(c2cn(C(=O)c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-phenylmethanone?
The InChIKey is UYLBNFAFIUFFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-22-13-11-16(12-14-22)19-15-23(20-10-6-5-9-18(19)20)21(24)17-7-3-2-4-8-17/h2-11,15H,12-14H2,1H3.
What are the key properties of [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-phenylmethanone?
[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-phenylmethanone has a molecular weight of 316.40 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-phenylmethanone is sourced from PubChem (CID 23288143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).