N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide

C20H23N3O3 — CID 54651724

IUPACN-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1cccnc1
InChIInChI=1S/C20H23N3O3/c1-14(25)22-12-17-20(16-7-3-2-4-8-16)18(13-24)23(17)19(26)10-15-6-5-9-21-11-15/h2-9,11,17-18,20,24H,10,12-13H2,1H3,(H,22,25)/t17-,18+,20-/m1/s1
InChIKeyHYYPNDHBWZTTBF-WSTZPKSXSA-N
MW353.42 g/mol
LogP1.12
Rot. Bonds6

About N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide

N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide (PubChem CID 54651724) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide
PubChem CID54651724
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1cccnc1
InChIInChI=1S/C20H23N3O3/c1-14(25)22-12-17-20(16-7-3-2-4-8-16)18(13-24)23(17)19(26)10-15-6-5-9-21-11-15/h2-9,11,17-18,20,24H,10,12-13H2,1H3,(H,22,25)/t17-,18+,20-/m1/s1
InChIKeyHYYPNDHBWZTTBF-WSTZPKSXSA-N
XLogP1.12
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide
CID 54651644
(2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide
CID 54651898
N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide
CID 54651938
N-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide
CID 54651302
N-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide
CID 54651624
N-[[(2R,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-2-methoxyacetamide
CID 54651713
N-[[(2R,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-1-propanoylazetidin-2-yl]methyl]acetamide
CID 54652398
N-[[(2S,3S,4R)-1-acetyl-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide
CID 54651750
N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide
CID 54652275
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-2-methoxyacetamide
CID 54651254

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide (CID 54651724) is N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide is CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1cccnc1.
What is the InChIKey of N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide?
The InChIKey is HYYPNDHBWZTTBF-WSTZPKSXSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(25)22-12-17-20(16-7-3-2-4-8-16)18(13-24)23(17)19(26)10-15-6-5-9-21-11-15/h2-9,11,17-18,20,24H,10,12-13H2,1H3,(H,22,25)/t17-,18+,20-/m1/s1.
What are the key properties of N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide?
N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide is sourced from PubChem (CID 54651724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).