6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide

C24H30FN3O2 — CID 71124681

IUPAC6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)N2C3CCC2CC(NC(=O)c2cccc(F)n2)C3)c(C)c1C
InChIInChI=1S/C24H30FN3O2/c1-14-15(2)22(30-4)11-10-20(14)16(3)28-18-8-9-19(28)13-17(12-18)26-24(29)21-6-5-7-23(25)27-21/h5-7,10-11,16-19H,8-9,12-13H2,1-4H3,(H,26,29)
InChIKeyHQYWNNXWLSOIHL-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.33
Rot. Bonds5

About 6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide

6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide (PubChem CID 71124681) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide
PubChem CID71124681
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)N2C3CCC2CC(NC(=O)c2cccc(F)n2)C3)c(C)c1C
InChIInChI=1S/C24H30FN3O2/c1-14-15(2)22(30-4)11-10-20(14)16(3)28-18-8-9-19(28)13-17(12-18)26-24(29)21-6-5-7-23(25)27-21/h5-7,10-11,16-19H,8-9,12-13H2,1-4H3,(H,26,29)
InChIKeyHQYWNNXWLSOIHL-UHFFFAOYSA-N
XLogP4.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide (CID 71124681) is 6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide is COc1ccc(C(C)N2C3CCC2CC(NC(=O)c2cccc(F)n2)C3)c(C)c1C.
What is the InChIKey of 6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide?
The InChIKey is HQYWNNXWLSOIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-14-15(2)22(30-4)11-10-20(14)16(3)28-18-8-9-19(28)13-17(12-18)26-24(29)21-6-5-7-23(25)27-21/h5-7,10-11,16-19H,8-9,12-13H2,1-4H3,(H,26,29).
What are the key properties of 6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide?
6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71124681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).