6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid

C22H24N2O4 — CID 171153393

IUPAC6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid
SMILESCOc1ccc(C(=O)O)nc1-c1cccc(C(=O)N2CC3CCCC(C3)C2)c1
InChIInChI=1S/C22H24N2O4/c1-28-19-9-8-18(22(26)27)23-20(19)16-6-3-7-17(11-16)21(25)24-12-14-4-2-5-15(10-14)13-24/h3,6-9,11,14-15H,2,4-5,10,12-13H2,1H3,(H,26,27)
InChIKeyRUEFMAKWHWMRRH-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.72
Rot. Bonds4

About 6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid

6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid (PubChem CID 171153393) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid
PubChem CID171153393
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid
SMILESCOc1ccc(C(=O)O)nc1-c1cccc(C(=O)N2CC3CCCC(C3)C2)c1
InChIInChI=1S/C22H24N2O4/c1-28-19-9-8-18(22(26)27)23-20(19)16-6-3-7-17(11-16)21(25)24-12-14-4-2-5-15(10-14)13-24/h3,6-9,11,14-15H,2,4-5,10,12-13H2,1H3,(H,26,27)
InChIKeyRUEFMAKWHWMRRH-UHFFFAOYSA-N
XLogP3.72
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorophenyl)-5-methoxypyridine-2-carboxylic acid
CID 71087250
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131945890
[3-(5-chloro-2-methoxyphenyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118774871
[3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 118760930
[3-(3-methoxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylmorpholin-4-yl)methanone
CID 169418355
(3-hydroxyazetidin-1-yl)-[3-(6-methoxy-2-pyridinyl)phenyl]methanone
CID 118772155
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
(3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide
CID 125169662
[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131920038
1-(4-methoxy-3-phenylbenzoyl)piperidine-4-carboxamide
CID 49316648
3-azabicyclo[3.3.1]nonan-3-yl-(2-bromo-4-pyridinyl)methanone
CID 114196387
1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-[4-(piperidine-1-carbonyl)phenyl]-2-pyridinyl]butane-1,4-dione
CID 159859029

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid (CID 171153393) is 6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid is COc1ccc(C(=O)O)nc1-c1cccc(C(=O)N2CC3CCCC(C3)C2)c1.
What is the InChIKey of 6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid?
The InChIKey is RUEFMAKWHWMRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-28-19-9-8-18(22(26)27)23-20(19)16-6-3-7-17(11-16)21(25)24-12-14-4-2-5-15(10-14)13-24/h3,6-9,11,14-15H,2,4-5,10,12-13H2,1H3,(H,26,27).
What are the key properties of 6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid?
6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-azabicyclo[3.3.1]nonane-3-carbonyl)phenyl]-5-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 171153393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).