N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide

C21H20N2O2 — CID 68513305

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H20N2O2/c24-15-20(14-16-4-2-1-3-5-16)23-21(25)19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,24H,14-15H2,(H,23,25)/t20-/m0/s1
InChIKeyYVKVSKQNYIHXPX-FQEVSTJZSA-N
MW332.40 g/mol
LogP3.08
Rot. Bonds6

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide (PubChem CID 68513305) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide
PubChem CID68513305
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H20N2O2/c24-15-20(14-16-4-2-1-3-5-16)23-21(25)19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,24H,14-15H2,(H,23,25)/t20-/m0/s1
InChIKeyYVKVSKQNYIHXPX-FQEVSTJZSA-N
XLogP3.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide (CID 68513305) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide is O=C(N[C@H](CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide?
The InChIKey is YVKVSKQNYIHXPX-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-15-20(14-16-4-2-1-3-5-16)23-21(25)19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,24H,14-15H2,(H,23,25)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide has a molecular weight of 332.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 68513305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).