(3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C19H20N2O3 — CID 98750535

IUPAC(3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCOc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3Oc2ccccn2)c1
InChIInChI=1S/C19H20N2O3/c1-23-15-6-4-5-13(11-15)19(22)21-12-14-8-9-16(21)18(14)24-17-7-2-3-10-20-17/h2-7,10-11,14,16,18H,8-9,12H2,1H3/t14-,16+,18-/m1/s1
InChIKeySJRGGRRWIHTRHE-UWWQBHOKSA-N
MW324.38 g/mol
LogP2.77
Rot. Bonds4

About (3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone

(3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 98750535) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID98750535
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCOc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3Oc2ccccn2)c1
InChIInChI=1S/C19H20N2O3/c1-23-15-6-4-5-13(11-15)19(22)21-12-14-8-9-16(21)18(14)24-17-7-2-3-10-20-17/h2-7,10-11,14,16,18H,8-9,12H2,1H3/t14-,16+,18-/m1/s1
InChIKeySJRGGRRWIHTRHE-UWWQBHOKSA-N
XLogP2.77
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 122152021
pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 98780312
(3,5-dimethoxyphenyl)-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417295
1-[(1S,4R,7S)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]-2-thiophen-3-ylethanone
CID 98780388
2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane
CID 131655868
3-(3-methoxybenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 3284316
N-(3-methoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247293
(2,6-dimethylmorpholin-4-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596689
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475
[(2S)-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 93340769
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
[(3aR,4S,6aS)-4-phenyl-2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone
CID 170506637

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 98750535) is (3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone is COc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3Oc2ccccn2)c1.
What is the InChIKey of (3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is SJRGGRRWIHTRHE-UWWQBHOKSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-15-6-4-5-13(11-15)19(22)21-12-14-8-9-16(21)18(14)24-17-7-2-3-10-20-17/h2-7,10-11,14,16,18H,8-9,12H2,1H3/t14-,16+,18-/m1/s1.
What are the key properties of (3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
(3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 98750535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).