[(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone

C20H21NO2 — CID 46187280

IUPAC[(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone
SMILESCOc1cccc([C@@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)c2ccccn2)c1
InChIInChI=1S/C20H21NO2/c1-23-16-6-4-5-13(12-16)18-14-8-9-15(11-14)19(18)20(22)17-7-2-3-10-21-17/h2-7,10,12,14-15,18-19H,8-9,11H2,1H3/t14-,15+,18+,19+/m0/s1
InChIKeyUILALBJONCTZPS-OSGQAZFXSA-N
MW307.39 g/mol
LogP4.10
Rot. Bonds4

About [(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone

[(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone (PubChem CID 46187280) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is [(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone
PubChem CID46187280
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name[(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone
SMILESCOc1cccc([C@@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)c2ccccn2)c1
InChIInChI=1S/C20H21NO2/c1-23-16-6-4-5-13(12-16)18-14-8-9-15(11-14)19(18)20(22)17-7-2-3-10-21-17/h2-7,10,12,14-15,18-19H,8-9,11H2,1H3/t14-,15+,18+,19+/m0/s1
InChIKeyUILALBJONCTZPS-OSGQAZFXSA-N
XLogP4.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

[(1R,2R,3R,4S)-3-propan-2-yl-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone
CID 46187279
(3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097286
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone
CID 40542856
3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 135023836
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
1-[4-[(1R,2R,3S,4S)-3-(4-methoxybenzoyl)-2-bicyclo[2.2.1]heptanyl]phenyl]ethanone
CID 101136009
[(1S,2S,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]-pyridin-2-ylmethanone
CID 102003805
(3-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 118819424
[(1R,2R,3R,4S)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]-pyridin-2-ylmethanone
CID 102003806
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
3-methoxy-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 47029925
(1S,2R,3S,4S)-3-[(3-methoxyphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51021594

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone?
The IUPAC name of [(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone (CID 46187280) is [(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone?
The canonical SMILES for [(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone is COc1cccc([C@@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)c2ccccn2)c1.
What is the InChIKey of [(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone?
The InChIKey is UILALBJONCTZPS-OSGQAZFXSA-N. The full InChI is InChI=1S/C20H21NO2/c1-23-16-6-4-5-13(12-16)18-14-8-9-15(11-14)19(18)20(22)17-7-2-3-10-21-17/h2-7,10,12,14-15,18-19H,8-9,11H2,1H3/t14-,15+,18+,19+/m0/s1.
What are the key properties of [(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone?
[(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone has a molecular weight of 307.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 46187280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).