N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

C20H25N3O — CID 77302110

IUPACN-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCOc1ccc(-c2ccc(NC3C4CCN(CC4)C3C)nc2)cc1
InChIInChI=1S/C20H25N3O/c1-14-20(16-9-11-23(14)12-10-16)22-19-8-5-17(13-21-19)15-3-6-18(24-2)7-4-15/h3-8,13-14,16,20H,9-12H2,1-2H3,(H,21,22)
InChIKeyAMQMEUGRXKNGEM-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.65
Rot. Bonds4

About N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 77302110) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID77302110
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCOc1ccc(-c2ccc(NC3C4CCN(CC4)C3C)nc2)cc1
InChIInChI=1S/C20H25N3O/c1-14-20(16-9-11-23(14)12-10-16)22-19-8-5-17(13-21-19)15-3-6-18(24-2)7-4-15/h3-8,13-14,16,20H,9-12H2,1-2H3,(H,21,22)
InChIKeyAMQMEUGRXKNGEM-UHFFFAOYSA-N
XLogP3.65
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[5-(3-methylphenyl)-2-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67492165
N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 77302145
(2R,3S)-2-methyl-N-(5-thiophen-2-yl-2-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 67491859
(2R,3R)-N-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 91482454
(2R,3R)-N-[5-(2,3-dimethyl-1H-indol-5-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 91471707
(2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 91154792
(2R,3S)-N-[6-(2,5-dimethoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67492161
N-cyclopropyl-5-methoxypyridin-2-amine
CID 106503930
(2R,3S)-N-[5-(1H-indol-5-yl)pyrimidin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491722
4-[(5-methoxy-2-pyridinyl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383251
(2R,3S)-N-[6-(1H-indol-5-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491998
(2R,3R)-N-[6-(3-fluoro-4-methylphenyl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 90928452

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (CID 77302110) is N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is COc1ccc(-c2ccc(NC3C4CCN(CC4)C3C)nc2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is AMQMEUGRXKNGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-20(16-9-11-23(14)12-10-16)22-19-8-5-17(13-21-19)15-3-6-18(24-2)7-4-15/h3-8,13-14,16,20H,9-12H2,1-2H3,(H,21,22).
What are the key properties of N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 323.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 77302110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).