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

C22H27N3O2 — CID 54652366

IUPACN-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CCC1
InChIInChI=1S/C22H27N3O2/c26-15-20-21(16-7-2-1-3-8-16)19(13-24-22(27)17-9-6-10-17)25(20)14-18-11-4-5-12-23-18/h1-5,7-8,11-12,17,19-21,26H,6,9-10,13-15H2,(H,24,27)/t19-,20-,21-/m0/s1
InChIKeyUIWMPEMTOGIUIE-ACRUOGEOSA-N
MW365.48 g/mol
LogP2.33
Rot. Bonds7

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

N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 54652366) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID54652366
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CCC1
InChIInChI=1S/C22H27N3O2/c26-15-20-21(16-7-2-1-3-8-16)19(13-24-22(27)17-9-6-10-17)25(20)14-18-11-4-5-12-23-18/h1-5,7-8,11-12,17,19-21,26H,6,9-10,13-15H2,(H,24,27)/t19-,20-,21-/m0/s1
InChIKeyUIWMPEMTOGIUIE-ACRUOGEOSA-N
XLogP2.33
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]propanamide
CID 54651314
N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide
CID 54651644
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
N-[[(2R,3S,4S)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 54652265
N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 1071352
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
1-N-cyclohexyl-4-N-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 113004461
1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 51361852
N-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide
CID 54651624
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
1-(pyridin-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66471528
1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide (CID 54652366) is N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide is O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CCC1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is UIWMPEMTOGIUIE-ACRUOGEOSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-15-20-21(16-7-2-1-3-8-16)19(13-24-22(27)17-9-6-10-17)25(20)14-18-11-4-5-12-23-18/h1-5,7-8,11-12,17,19-21,26H,6,9-10,13-15H2,(H,24,27)/t19-,20-,21-/m0/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide?
N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 54652366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).