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

C21H24N4 — CID 66787176

IUPAC(1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1[C@@H]2CC[C@H]1CC(Nc1ccc(-c3ccc4cc[nH]c4c3)nc1)C2
InChIInChI=1S/C21H24N4/c1-25-18-5-6-19(25)12-17(11-18)24-16-4-7-20(23-13-16)15-3-2-14-8-9-22-21(14)10-15/h2-4,7-10,13,17-19,22,24H,5-6,11-12H2,1H3/t17?,18-,19+
InChIKeyQVDTZIDRNMNFKI-YQQQUEKLSA-N
MW332.45 g/mol
LogP4.27
Rot. Bonds3

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

(1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 66787176) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is (1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID66787176
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name(1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1[C@@H]2CC[C@H]1CC(Nc1ccc(-c3ccc4cc[nH]c4c3)nc1)C2
InChIInChI=1S/C21H24N4/c1-25-18-5-6-19(25)12-17(11-18)24-16-4-7-20(23-13-16)15-3-2-14-8-9-22-21(14)10-15/h2-4,7-10,13,17-19,22,24H,5-6,11-12H2,1H3/t17?,18-,19+
InChIKeyQVDTZIDRNMNFKI-YQQQUEKLSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 66787176) is (1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1[C@@H]2CC[C@H]1CC(Nc1ccc(-c3ccc4cc[nH]c4c3)nc1)C2.
What is the InChIKey of (1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is QVDTZIDRNMNFKI-YQQQUEKLSA-N. The full InChI is InChI=1S/C21H24N4/c1-25-18-5-6-19(25)12-17(11-18)24-16-4-7-20(23-13-16)15-3-2-14-8-9-22-21(14)10-15/h2-4,7-10,13,17-19,22,24H,5-6,11-12H2,1H3/t17?,18-,19+.
What are the key properties of (1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
(1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 332.45 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 66787176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).