3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide

C22H23N3O2 — CID 69352698

IUPAC3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide
SMILESNC(=O)c1ccc(-c2ccccc2)c(CCNC[C@H](O)c2cccnc2)c1
InChIInChI=1S/C22H23N3O2/c23-22(27)18-8-9-20(16-5-2-1-3-6-16)17(13-18)10-12-25-15-21(26)19-7-4-11-24-14-19/h1-9,11,13-14,21,25-26H,10,12,15H2,(H2,23,27)/t21-/m0/s1
InChIKeyFFOXICABDYMWEP-NRFANRHFSA-N
MW361.45 g/mol
LogP2.71
Rot. Bonds8

About 3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide

3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide (PubChem CID 69352698) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide.

Molecular Properties

Compound Name3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide
PubChem CID69352698
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide
SMILESNC(=O)c1ccc(-c2ccccc2)c(CCNC[C@H](O)c2cccnc2)c1
InChIInChI=1S/C22H23N3O2/c23-22(27)18-8-9-20(16-5-2-1-3-6-16)17(13-18)10-12-25-15-21(26)19-7-4-11-24-14-19/h1-9,11,13-14,21,25-26H,10,12,15H2,(H2,23,27)/t21-/m0/s1
InChIKeyFFOXICABDYMWEP-NRFANRHFSA-N
XLogP2.71
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-3-methylbenzoic acid
CID 69051953
2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867
4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-3-(2-methylpropyl)benzoic acid;hydrochloride
CID 69102858
(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 123984244
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
(2S)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]propanoic acid
CID 25207721
4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide
CID 173443501
ethyl (2S)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]pentanoate
CID 11495574
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
1-[4-[[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]sulfamoyl]phenyl]-3-(2-phenylethyl)urea
CID 19420719
3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide
CID 50965140

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide?
The IUPAC name of 3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide (CID 69352698) is 3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide.
What is the SMILES notation for 3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide?
The canonical SMILES for 3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide is NC(=O)c1ccc(-c2ccccc2)c(CCNC[C@H](O)c2cccnc2)c1.
What is the InChIKey of 3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide?
The InChIKey is FFOXICABDYMWEP-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23N3O2/c23-22(27)18-8-9-20(16-5-2-1-3-6-16)17(13-18)10-12-25-15-21(26)19-7-4-11-24-14-19/h1-9,11,13-14,21,25-26H,10,12,15H2,(H2,23,27)/t21-/m0/s1.
What are the key properties of 3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide?
3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide is sourced from PubChem (CID 69352698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).