(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone

C14H17FN2O — CID 113447198

IUPAC(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCN1C2CCC1CC(C(=O)c1ccncc1F)C2
InChIInChI=1S/C14H17FN2O/c1-17-10-2-3-11(17)7-9(6-10)14(18)12-4-5-16-8-13(12)15/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyQNEUODGURSREIU-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.28
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone

(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 113447198) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID113447198
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCN1C2CCC1CC(C(=O)c1ccncc1F)C2
InChIInChI=1S/C14H17FN2O/c1-17-10-2-3-11(17)7-9(6-10)14(18)12-4-5-16-8-13(12)15/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyQNEUODGURSREIU-UHFFFAOYSA-N
XLogP2.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

cyclobutyl-(3-fluoro-4-pyridinyl)methanone
CID 119030457
(4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943456
(4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone
CID 116557323
(2,3-difluoro-4-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107512751
(2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171944994
(3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105129285
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 112680607
4-fluoro-3-(8-methyl-8-azabicyclo[3.2.1]octane-3-carbonyl)benzonitrile
CID 171946734
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 171948261
N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide
CID 131656212
(3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 154883958
3-fluoro-4-(9-methyl-9-azabicyclo[3.3.1]nonane-3-carbonyl)benzonitrile
CID 171946719

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone (CID 113447198) is (3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone is CN1C2CCC1CC(C(=O)c1ccncc1F)C2.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is QNEUODGURSREIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-17-10-2-3-11(17)7-9(6-10)14(18)12-4-5-16-8-13(12)15/h4-5,8-11H,2-3,6-7H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 248.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 113447198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).