(2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine

C20H25N3 — CID 91288862

IUPAC(2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCc1cccc(-c2ccc(N[C@@H]3C4CCN(CC4)[C@@H]3C)cn2)c1
InChIInChI=1S/C20H25N3/c1-14-4-3-5-17(12-14)19-7-6-18(13-21-19)22-20-15(2)23-10-8-16(20)9-11-23/h3-7,12-13,15-16,20,22H,8-11H2,1-2H3/t15-,20+/m1/s1
InChIKeyZILYRWFGFFGTRS-QRWLVFNGSA-N
MW307.44 g/mol
LogP3.95
Rot. Bonds3

About (2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine

(2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 91288862) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID91288862
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name(2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCc1cccc(-c2ccc(N[C@@H]3C4CCN(CC4)[C@@H]3C)cn2)c1
InChIInChI=1S/C20H25N3/c1-14-4-3-5-17(12-14)19-7-6-18(13-21-19)22-20-15(2)23-10-8-16(20)9-11-23/h3-7,12-13,15-16,20,22H,8-11H2,1-2H3/t15-,20+/m1/s1
InChIKeyZILYRWFGFFGTRS-QRWLVFNGSA-N
XLogP3.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[6-(3,5-dimethylphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491795
(2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 91154792
N-[6-(3,4-dimethylphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 77302098
(2R,3S)-2-methyl-N-[5-(3-methylphenyl)-2-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67492165
(2R,3S)-2-methyl-N-[6-(4-methylthiophen-3-yl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67491853
N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 77302049
(2R,3S)-N-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491864
(2R,3R)-N-[6-(3-fluoro-4-methylphenyl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 90928452
(2R,3S)-N-[5-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491856
(2R,3S)-2-methyl-N-[6-(2-methyl-1,3-benzothiazol-5-yl)pyridazin-3-yl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67492086
2-methyl-N-[5-(1-methylindol-5-yl)pyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine
CID 77301969
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide
CID 18181175

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 91288862) is (2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine is Cc1cccc(-c2ccc(N[C@@H]3C4CCN(CC4)[C@@H]3C)cn2)c1.
What is the InChIKey of (2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is ZILYRWFGFFGTRS-QRWLVFNGSA-N. The full InChI is InChI=1S/C20H25N3/c1-14-4-3-5-17(12-14)19-7-6-18(13-21-19)22-20-15(2)23-10-8-16(20)9-11-23/h3-7,12-13,15-16,20,22H,8-11H2,1-2H3/t15-,20+/m1/s1.
What are the key properties of (2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine?
(2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 307.44 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-N-[6-(3-methylphenyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 91288862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).