N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine

C20H22N4 — CID 25069272

IUPACN-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESc1cc2cc(-c3ccc(NC4CC5CCC(C4)N5)cn3)ccc2[nH]1
InChIInChI=1S/C20H22N4/c1-5-19-14(7-8-21-19)9-13(1)20-6-4-17(12-22-20)24-18-10-15-2-3-16(11-18)23-15/h1,4-9,12,15-16,18,21,23-24H,2-3,10-11H2
InChIKeyXXASHDKOJPGGRH-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.92
Rot. Bonds3

About N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine

N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 25069272) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID25069272
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESc1cc2cc(-c3ccc(NC4CC5CCC(C4)N5)cn3)ccc2[nH]1
InChIInChI=1S/C20H22N4/c1-5-19-14(7-8-21-19)9-13(1)20-6-4-17(12-22-20)24-18-10-15-2-3-16(11-18)23-15/h1,4-9,12,15-16,18,21,23-24H,2-3,10-11H2
InChIKeyXXASHDKOJPGGRH-UHFFFAOYSA-N
XLogP3.92
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

(1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66787176
(1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 87150791
5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole
CID 50915100
N-(azepan-4-yl)-1H-indol-5-amine
CID 113361399
N-cyclohexyl-1H-indol-6-amine
CID 139269794
(2R,3S)-N-[5-(1H-indol-5-yl)pyrimidin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491722
(E)-but-2-enedioic acid;N-[3-(1H-indol-5-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66787494
6-(1H-indol-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 155010351
3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane
CID 67425707
6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole
CID 25068504
5-(6-bromo-3-pyridinyl)-1H-indole
CID 59145382
(2R,3S)-N-[6-(1H-indol-5-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491998

Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 25069272) is N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine is c1cc2cc(-c3ccc(NC4CC5CCC(C4)N5)cn3)ccc2[nH]1.
What is the InChIKey of N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XXASHDKOJPGGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-5-19-14(7-8-21-19)9-13(1)20-6-4-17(12-22-20)24-18-10-15-2-3-16(11-18)23-15/h1,4-9,12,15-16,18,21,23-24H,2-3,10-11H2.
What are the key properties of N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 318.42 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 25069272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).