[(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone

C14H18N2O2 — CID 169175854

IUPAC[(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
SMILESC[C@@H]1CC2CC(CO)(C1)N2C(=O)c1ccccn1
InChIInChI=1S/C14H18N2O2/c1-10-6-11-8-14(7-10,9-17)16(11)13(18)12-4-2-3-5-15-12/h2-5,10-11,17H,6-9H2,1H3/t10-,11?,14?/m1/s1
InChIKeyOYNRERQNEHTMRD-CDWSIMAYSA-N
MW246.31 g/mol
LogP1.46
Rot. Bonds2

About [(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone

[(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone (PubChem CID 169175854) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
PubChem CID169175854
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
SMILESC[C@@H]1CC2CC(CO)(C1)N2C(=O)c1ccccn1
InChIInChI=1S/C14H18N2O2/c1-10-6-11-8-14(7-10,9-17)16(11)13(18)12-4-2-3-5-15-12/h2-5,10-11,17H,6-9H2,1H3/t10-,11?,14?/m1/s1
InChIKeyOYNRERQNEHTMRD-CDWSIMAYSA-N
XLogP1.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

[(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
CID 176763931
[(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
CID 176763799
methyl 6-(pyridine-2-carbonyl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-1-carboxylate
CID 176677570
(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767
pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone
CID 82243120
methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate
CID 176763980
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556
(3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid
CID 122155565
4-(pyridine-2-carbonyl)piperazine-2,6-dione
CID 66085705
CID 175246691
CID 175246691
[1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone
CID 116921184

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone (CID 169175854) is [(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone is C[C@@H]1CC2CC(CO)(C1)N2C(=O)c1ccccn1.
What is the InChIKey of [(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone?
The InChIKey is OYNRERQNEHTMRD-CDWSIMAYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-6-11-8-14(7-10,9-17)16(11)13(18)12-4-2-3-5-15-12/h2-5,10-11,17H,6-9H2,1H3/t10-,11?,14?/m1/s1.
What are the key properties of [(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone?
[(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone has a molecular weight of 246.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 169175854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).