N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide

C16H16N2O2 — CID 76988075

IUPACN-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide
SMILESO=C(C=Cc1cccnc1)NC(CO)c1ccccc1
InChIInChI=1S/C16H16N2O2/c19-12-15(14-6-2-1-3-7-14)18-16(20)9-8-13-5-4-10-17-11-13/h1-11,15,19H,12H2,(H,18,20)
InChIKeyXFAPWLRCNWGXIG-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.94
Rot. Bonds5

About N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide

N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 76988075) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID76988075
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide
SMILESO=C(C=Cc1cccnc1)NC(CO)c1ccccc1
InChIInChI=1S/C16H16N2O2/c19-12-15(14-6-2-1-3-7-14)18-16(20)9-8-13-5-4-10-17-11-13/h1-11,15,19H,12H2,(H,18,20)
InChIKeyXFAPWLRCNWGXIG-UHFFFAOYSA-N
XLogP1.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-hydroxy-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoic acid
CID 80750784
(E)-N-[(2R)-1-hydroxybutan-2-yl]-3-pyridin-3-ylprop-2-enamide
CID 103919982
(2S)-4-hydroxy-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid
CID 114004802
3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide
CID 76988022
molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 168909780
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]but-2-enamide
CID 102059297
(E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide
CID 95304316
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(E)-N-[1-(4-aminophenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 175541774
2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284148

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide (CID 76988075) is N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide is O=C(C=Cc1cccnc1)NC(CO)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is XFAPWLRCNWGXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-12-15(14-6-2-1-3-7-14)18-16(20)9-8-13-5-4-10-17-11-13/h1-11,15,19H,12H2,(H,18,20).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide?
N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 268.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 76988075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).