[(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone

C13H16N2O — CID 176763799

IUPAC[(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
SMILESCC1CC2C[C@@H](C1)N2C(=O)c1ccccn1
InChIInChI=1S/C13H16N2O/c1-9-6-10-8-11(7-9)15(10)13(16)12-4-2-3-5-14-12/h2-5,9-11H,6-8H2,1H3/t9?,10-,11?/m1/s1
InChIKeyUZDAFDJEJNUZRY-HSOILSAZSA-N
MW216.28 g/mol
LogP2.09
Rot. Bonds1

About [(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone

[(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone (PubChem CID 176763799) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
PubChem CID176763799
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
SMILESCC1CC2C[C@@H](C1)N2C(=O)c1ccccn1
InChIInChI=1S/C13H16N2O/c1-9-6-10-8-11(7-9)15(10)13(16)12-4-2-3-5-14-12/h2-5,9-11H,6-8H2,1H3/t9?,10-,11?/m1/s1
InChIKeyUZDAFDJEJNUZRY-HSOILSAZSA-N
XLogP2.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767
[(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
CID 169175854
methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate
CID 176763980
[(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
CID 176763931
(3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid
CID 122155565
[(1R,5S)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone
CID 70749572
pyridin-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185862
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556
(1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone
CID 88929436
pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone
CID 82243120
ethane;pyridine-2-carbonyl chloride
CID 158598971

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone (CID 176763799) is [(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone is CC1CC2C[C@@H](C1)N2C(=O)c1ccccn1.
What is the InChIKey of [(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone?
The InChIKey is UZDAFDJEJNUZRY-HSOILSAZSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-6-10-8-11(7-9)15(10)13(16)12-4-2-3-5-14-12/h2-5,9-11H,6-8H2,1H3/t9?,10-,11?/m1/s1.
What are the key properties of [(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone?
[(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone has a molecular weight of 216.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 176763799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).