1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide

C19H20FN3O2 — CID 143699791

IUPAC1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCC(=O)N1C[C@H]2C[C@H]2C1.NC(=O)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C12H9FN2O.C7H11NO/c13-10-3-1-2-8(6-10)11-5-4-9(7-15-11)12(14)16;1-5(9)8-3-6-2-7(6)4-8/h1-7H,(H2,14,16);6-7H,2-4H2,1H3/t;6-,7+
InChIKeyXNASBTZMWIZGIE-DAULDNKOSA-N
MW341.39 g/mol
LogP2.47
Rot. Bonds2

About 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide

1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 143699791) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID143699791
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCC(=O)N1C[C@H]2C[C@H]2C1.NC(=O)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C12H9FN2O.C7H11NO/c13-10-3-1-2-8(6-10)11-5-4-9(7-15-11)12(14)16;1-5(9)8-3-6-2-7(6)4-8/h1-7H,(H2,14,16);6-7H,2-4H2,1H3/t;6-,7+
InChIKeyXNASBTZMWIZGIE-DAULDNKOSA-N
XLogP2.47
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-(3-aminophenyl)pyridine-3-carboxamide
CID 174708231
N-cyclohexyl-2-hydroxyacetamide;6-(3-fluorophenyl)pyridine-3-carboxamide
CID 143913622
2-[(1S,5R)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone
CID 58550074
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone
CID 70717110
6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide
CID 59743759
6-(3-fluorophenyl)-N-phenylpyridine-3-carboxamide
CID 53111120
3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 67070085
N-[(1S,3R)-3-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 68508856
N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401581
6-(3-fluorophenyl)-N-[3-(1-hydroxyethyl)cyclohexyl]pyridine-3-carboxamide
CID 67070250
[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate
CID 87463729
N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 156605916

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide (CID 143699791) is 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide is CC(=O)N1C[C@H]2C[C@H]2C1.NC(=O)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is XNASBTZMWIZGIE-DAULDNKOSA-N. The full InChI is InChI=1S/C12H9FN2O.C7H11NO/c13-10-3-1-2-8(6-10)11-5-4-9(7-15-11)12(14)16;1-5(9)8-3-6-2-7(6)4-8/h1-7H,(H2,14,16);6-7H,2-4H2,1H3/t;6-,7+.
What are the key properties of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide?
1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 143699791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).