[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone

C20H22N2O3 — CID 99854488

IUPAC[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-14-12-22(19(14)15-5-3-2-4-6-15)20(23)16-7-9-21-18(11-16)25-17-8-10-24-13-17/h2-7,9,11,14,17,19H,8,10,12-13H2,1H3/t14-,17+,19+/m1/s1
InChIKeyNDUQWVWEFNKSAO-LJHODMEESA-N
MW338.41 g/mol
LogP3.08
Rot. Bonds4

About [(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone

[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone (PubChem CID 99854488) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
PubChem CID99854488
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-14-12-22(19(14)15-5-3-2-4-6-15)20(23)16-7-9-21-18(11-16)25-17-8-10-24-13-17/h2-7,9,11,14,17,19H,8,10,12-13H2,1H3/t14-,17+,19+/m1/s1
InChIKeyNDUQWVWEFNKSAO-LJHODMEESA-N
XLogP3.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone with MolForge

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Related Compounds

Anabasine, derivative of
CID 2902985
2-[[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-4-carboxamide
CID 49865860
US10023559, Example 127
CID 118903638
[3-[4-[(4-Ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-4-ylmethanone
CID 155561288
(2E)-1-[2-[(1-benzylpiperidin-4-yl)methoxy]-4-pyridinyl]-2-hydroxyiminoethanone
CID 89969971
(2S,4R)-4-fluoro-1-[2-(2-methylpropoxy)pyridine-4-carbonyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 169551387
2-({(3R,6R)-1-[(2-cyclopropylphenyl) carbonyl]-6-methylpiperidin-3-yl}oxy)-4-methoxypyridine
CID 78320894
(S)-(3-((4-(Aminomethyl)pyridin-2-yl)oxy)piperidin-1-yl)(phenyl)methanone trifluoroacetate
CID 122516108
N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 40020607
2-methoxy-N-methyl-N-[1-methyl-2-(4-methylpyridin-2-yl)ethyl]isonicotinamide
CID 46982192
N-[3-(dimethylamino)propyl]-2-phenylmethoxypyridine-4-carboxamide
CID 53530689
4-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)butanamide
CID 53557824

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone?
The IUPAC name of [(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone (CID 99854488) is [(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone.
What is the SMILES notation for [(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone?
The canonical SMILES for [(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone is C[C@@H]1CN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)[C@@H]1c1ccccc1.
What is the InChIKey of [(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone?
The InChIKey is NDUQWVWEFNKSAO-LJHODMEESA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-12-22(19(14)15-5-3-2-4-6-15)20(23)16-7-9-21-18(11-16)25-17-8-10-24-13-17/h2-7,9,11,14,17,19H,8,10,12-13H2,1H3/t14-,17+,19+/m1/s1.
What are the key properties of [(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone?
[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone has a molecular weight of 338.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone is sourced from PubChem (CID 99854488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).