(1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol

C20H25N3O — CID 98064055

IUPAC(1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCc1cccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1ccccn1)C2
InChIInChI=1S/C20H25N3O/c1-15-6-5-11-22-19(15)20(24)16-7-4-8-17(20)13-23(12-16)14-18-9-2-3-10-21-18/h2-3,5-6,9-11,16-17,24H,4,7-8,12-14H2,1H3/t16-,17-/m0/s1
InChIKeyYWYCONLBHDYGCM-IRXDYDNUSA-N
MW323.44 g/mol
LogP2.90
Rot. Bonds3

About (1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol

(1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 98064055) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol
PubChem CID98064055
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCc1cccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1ccccn1)C2
InChIInChI=1S/C20H25N3O/c1-15-6-5-11-22-19(15)20(24)16-7-4-8-17(20)13-23(12-16)14-18-9-2-3-10-21-18/h2-3,5-6,9-11,16-17,24H,4,7-8,12-14H2,1H3/t16-,17-/m0/s1
InChIKeyYWYCONLBHDYGCM-IRXDYDNUSA-N
XLogP2.90
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol with MolForge

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Related Compounds

(1S,5S)-3-[(2,4-dimethoxyphenyl)methyl]-9-(3-methyl-2-pyridinyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064046
(1R,5R)-9-(2,4-dimethoxypyrimidin-5-yl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 98132281
(1S,5S)-3-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-(3-methyl-2-pyridinyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064064
(1S,5S)-9-(2,4-diethoxypyrimidin-5-yl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064187
(1R,5R)-9-(2,4-diethoxypyrimidin-5-yl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064186
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
(3aS,6aR)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156899177
3-[(2,6-dimethoxyphenyl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 110216424
(1S,5S)-3-[(2-propan-2-ylpyrimidin-5-yl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063996
(1R,5R)-9-pyridin-3-yl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063916
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
3-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 110216450

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol (CID 98064055) is (1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol is Cc1cccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1ccccn1)C2.
What is the InChIKey of (1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is YWYCONLBHDYGCM-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-6-5-11-22-19(15)20(24)16-7-4-8-17(20)13-23(12-16)14-18-9-2-3-10-21-18/h2-3,5-6,9-11,16-17,24H,4,7-8,12-14H2,1H3/t16-,17-/m0/s1.
What are the key properties of (1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol?
(1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 323.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 98064055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).