(2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

C21H24N4 — CID 67491876

IUPAC(2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESC[C@@H]1[C@@H](Nc2ccc(-c3cc4ccccc4[nH]3)nc2)C2CCN1CC2
InChIInChI=1S/C21H24N4/c1-14-21(15-8-10-25(14)11-9-15)23-17-6-7-19(22-13-17)20-12-16-4-2-3-5-18(16)24-20/h2-7,12-15,21,23-24H,8-11H2,1H3/t14-,21-/m1/s1
InChIKeyOUHMBKFRZWCXIR-SPLOXXLWSA-N
MW332.45 g/mol
LogP4.12
Rot. Bonds3

About (2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

(2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 67491876) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is (2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID67491876
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name(2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESC[C@@H]1[C@@H](Nc2ccc(-c3cc4ccccc4[nH]3)nc2)C2CCN1CC2
InChIInChI=1S/C21H24N4/c1-14-21(15-8-10-25(14)11-9-15)23-17-6-7-19(22-13-17)20-12-16-4-2-3-5-18(16)24-20/h2-7,12-15,21,23-24H,8-11H2,1H3/t14-,21-/m1/s1
InChIKeyOUHMBKFRZWCXIR-SPLOXXLWSA-N
XLogP4.12
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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Related Compounds

2-(5-methyl-2-pyridinyl)-1H-indole
CID 66770585
(2R,3R)-N-[6-(1H-indol-6-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 90994527
2-(5-decyl-2-pyridinyl)-1H-indole
CID 150354876
(2R,3R)-N-[5-(1-benzothiophen-3-yl)pyrimidin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 90939758
(2R,3S)-2-methyl-N-[5-(3-methylphenyl)-2-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67492165
3-(1H-indol-2-yl)-6-[6-(1H-indol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine
CID 144630405
5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole
CID 50915100
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134
4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 136597131
6-(1H-indol-2-yl)-N-(1-methylindazol-7-yl)pyridine-3-sulfonamide
CID 170965133
2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole
CID 176573922
1-[4-[5-(1H-indol-2-yl)-1H-1,2,4-triazol-3-yl]piperazin-1-yl]ethanone
CID 167986450

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (CID 67491876) is (2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is C[C@@H]1[C@@H](Nc2ccc(-c3cc4ccccc4[nH]3)nc2)C2CCN1CC2.
What is the InChIKey of (2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is OUHMBKFRZWCXIR-SPLOXXLWSA-N. The full InChI is InChI=1S/C21H24N4/c1-14-21(15-8-10-25(14)11-9-15)23-17-6-7-19(22-13-17)20-12-16-4-2-3-5-18(16)24-20/h2-7,12-15,21,23-24H,8-11H2,1H3/t14-,21-/m1/s1.
What are the key properties of (2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
(2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 332.45 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 67491876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).