methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate

C14H16N2O3 — CID 176763980

IUPACmethyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@@H]2CC1N2C(=O)c1ccccn1
InChIInChI=1S/C14H16N2O3/c1-19-14(18)10-6-5-9-8-12(10)16(9)13(17)11-4-2-3-7-15-11/h2-4,7,9-10,12H,5-6,8H2,1H3/t9-,10-,12?/m1/s1
InChIKeyWAEIDOIBRXLTPJ-UVTZGIPTSA-N
MW260.29 g/mol
LogP1.25
Rot. Bonds2

About methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate

methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate (PubChem CID 176763980) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate
PubChem CID176763980
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@@H]2CC1N2C(=O)c1ccccn1
InChIInChI=1S/C14H16N2O3/c1-19-14(18)10-6-5-9-8-12(10)16(9)13(17)11-4-2-3-7-15-11/h2-4,7,9-10,12H,5-6,8H2,1H3/t9-,10-,12?/m1/s1
InChIKeyWAEIDOIBRXLTPJ-UVTZGIPTSA-N
XLogP1.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
CID 99834690
[(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
CID 176763799
[(3R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-2-ylmethanone
CID 110211715
[(3S)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-2-ylmethanone
CID 110211700
pyridin-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185862
methyl 2-pyridin-2-ylcyclopropane-1-carboxylate
CID 91647742
methyl (2S,3S)-3-methyl-1-(pyridine-2-carbonyl)azetidine-2-carboxylate
CID 122462282
[(1R,5S)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone
CID 70749572
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
[(3R)-1-(hydroxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
CID 169175854
ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58346855

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate?
The IUPAC name of methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate (CID 176763980) is methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate.
What is the SMILES notation for methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate?
The canonical SMILES for methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate is COC(=O)[C@@H]1CC[C@@H]2CC1N2C(=O)c1ccccn1.
What is the InChIKey of methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate?
The InChIKey is WAEIDOIBRXLTPJ-UVTZGIPTSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-14(18)10-6-5-9-8-12(10)16(9)13(17)11-4-2-3-7-15-11/h2-4,7,9-10,12H,5-6,8H2,1H3/t9-,10-,12?/m1/s1.
What are the key properties of methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate?
methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5R)-6-(pyridine-2-carbonyl)-6-azabicyclo[3.1.1]heptane-2-carboxylate is sourced from PubChem (CID 176763980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).