N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

C21H24N4 — CID 77302145

IUPACN-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1C(Nc2ccc(-c3ccc4cc[nH]c4c3)cn2)C2CCN1CC2
InChIInChI=1S/C21H24N4/c1-14-21(16-7-10-25(14)11-8-16)24-20-5-4-18(13-23-20)17-3-2-15-6-9-22-19(15)12-17/h2-6,9,12-14,16,21-22H,7-8,10-11H2,1H3,(H,23,24)
InChIKeyWVSHWBOKDIAWLT-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.12
Rot. Bonds3

About N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 77302145) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID77302145
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC NameN-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1C(Nc2ccc(-c3ccc4cc[nH]c4c3)cn2)C2CCN1CC2
InChIInChI=1S/C21H24N4/c1-14-21(16-7-10-25(14)11-8-16)24-20-5-4-18(13-23-20)17-3-2-15-6-9-22-19(15)12-17/h2-6,9,12-14,16,21-22H,7-8,10-11H2,1H3,(H,23,24)
InChIKeyWVSHWBOKDIAWLT-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (CID 77302145) is N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is CC1C(Nc2ccc(-c3ccc4cc[nH]c4c3)cn2)C2CCN1CC2.
What is the InChIKey of N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is WVSHWBOKDIAWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-14-21(16-7-10-25(14)11-8-16)24-20-5-4-18(13-23-20)17-3-2-15-6-9-22-19(15)12-17/h2-6,9,12-14,16,21-22H,7-8,10-11H2,1H3,(H,23,24).
What are the key properties of N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
N-[5-(1H-indol-6-yl)-2-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 N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 77302145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).