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

C16H18N2O2 — CID 102673691

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H18N2O2/c19-12-15(9-13-5-2-1-3-6-13)18-16(20)10-14-7-4-8-17-11-14/h1-8,11,15,19H,9-10,12H2,(H,18,20)/t15-/m0/s1
InChIKeyFDUHBJZCSRSYFY-HNNXBMFYSA-N
MW270.33 g/mol
LogP1.34
Rot. Bonds6

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

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide (PubChem CID 102673691) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
PubChem CID102673691
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H18N2O2/c19-12-15(9-13-5-2-1-3-6-13)18-16(20)10-14-7-4-8-17-11-14/h1-8,11,15,19H,9-10,12H2,(H,18,20)/t15-/m0/s1
InChIKeyFDUHBJZCSRSYFY-HNNXBMFYSA-N
XLogP1.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide
CID 107861205
N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide
CID 115767168
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 107823734
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide (CID 102673691) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide?
The InChIKey is FDUHBJZCSRSYFY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-12-15(9-13-5-2-1-3-6-13)18-16(20)10-14-7-4-8-17-11-14/h1-8,11,15,19H,9-10,12H2,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide has a molecular weight of 270.33 g/mol, XLogP of 1.34, 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]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 102673691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).