N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide

C16H15N3O2 — CID 103598072

IUPACN-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide
SMILESNC(=O)C(NC(=O)C=Cc1ccccn1)c1ccccc1
InChIInChI=1S/C16H15N3O2/c17-16(21)15(12-6-2-1-3-7-12)19-14(20)10-9-13-8-4-5-11-18-13/h1-11,15H,(H2,17,21)(H,19,20)
InChIKeyAIVCZEWGEWQBBE-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.44
Rot. Bonds5

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

N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide (PubChem CID 103598072) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide
PubChem CID103598072
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide
SMILESNC(=O)C(NC(=O)C=Cc1ccccn1)c1ccccc1
InChIInChI=1S/C16H15N3O2/c17-16(21)15(12-6-2-1-3-7-12)19-14(20)10-9-13-8-4-5-11-18-13/h1-11,15H,(H2,17,21)(H,19,20)
InChIKeyAIVCZEWGEWQBBE-UHFFFAOYSA-N
XLogP1.44
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.44
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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide (CID 103598072) is N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide is NC(=O)C(NC(=O)C=Cc1ccccn1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide?
The InChIKey is AIVCZEWGEWQBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-16(21)15(12-6-2-1-3-7-12)19-14(20)10-9-13-8-4-5-11-18-13/h1-11,15H,(H2,17,21)(H,19,20).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide?
N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide has a molecular weight of 281.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 103598072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).