10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one

C23H28N2O — CID 158901576

IUPAC10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one
SMILESO=C(CCCCCCCc1c[nH]c2ccccc12)CCc1cccnc1
InChIInChI=1S/C23H28N2O/c26-21(15-14-19-9-8-16-24-17-19)11-5-3-1-2-4-10-20-18-25-23-13-7-6-12-22(20)23/h6-9,12-13,16-18,25H,1-5,10-11,14-15H2
InChIKeyJFNAOUXKGDZJAD-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.65
Rot. Bonds11

About 10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one

10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one (PubChem CID 158901576) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one.

Molecular Properties

Compound Name10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one
PubChem CID158901576
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one
SMILESO=C(CCCCCCCc1c[nH]c2ccccc12)CCc1cccnc1
InChIInChI=1S/C23H28N2O/c26-21(15-14-19-9-8-16-24-17-19)11-5-3-1-2-4-10-20-18-25-23-13-7-6-12-22(20)23/h6-9,12-13,16-18,25H,1-5,10-11,14-15H2
InChIKeyJFNAOUXKGDZJAD-UHFFFAOYSA-N
XLogP5.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 22689997
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
4-(1H-indol-3-yl)butanamide
CID 588715
4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108556
1-(1H-indol-3-yl)-9-propan-2-ylsulfonylnonan-4-one
CID 58145050

Frequently Asked Questions

What is the IUPAC name of 10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one?
The IUPAC name of 10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one (CID 158901576) is 10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one.
What is the SMILES notation for 10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one?
The canonical SMILES for 10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one is O=C(CCCCCCCc1c[nH]c2ccccc12)CCc1cccnc1.
What is the InChIKey of 10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one?
The InChIKey is JFNAOUXKGDZJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c26-21(15-14-19-9-8-16-24-17-19)11-5-3-1-2-4-10-20-18-25-23-13-7-6-12-22(20)23/h6-9,12-13,16-18,25H,1-5,10-11,14-15H2.
What are the key properties of 10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one?
10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one has a molecular weight of 348.49 g/mol, XLogP of 5.65, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one is sourced from PubChem (CID 158901576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).