N-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide

C21H17N3O2 — CID 5409139

IUPACN-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
SMILESO=C(Nc1ccccc1)/C(=C\c1ccncc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H17N3O2/c25-20(17-7-3-1-4-8-17)24-19(15-16-11-13-22-14-12-16)21(26)23-18-9-5-2-6-10-18/h1-15H,(H,23,26)(H,24,25)/b19-15+
InChIKeyNLKOVOOVLHXJGZ-XDJHFCHBSA-N
MW343.39 g/mol
LogP3.49
Rot. Bonds5

About N-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide

N-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide (PubChem CID 5409139) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
PubChem CID5409139
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
SMILESO=C(Nc1ccccc1)/C(=C\c1ccncc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H17N3O2/c25-20(17-7-3-1-4-8-17)24-19(15-16-11-13-22-14-12-16)21(26)23-18-9-5-2-6-10-18/h1-15H,(H,23,26)(H,24,25)/b19-15+
InChIKeyNLKOVOOVLHXJGZ-XDJHFCHBSA-N
XLogP3.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.49
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-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide (CID 5409139) is N-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide is O=C(Nc1ccccc1)/C(=C\c1ccncc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide?
The InChIKey is NLKOVOOVLHXJGZ-XDJHFCHBSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-20(17-7-3-1-4-8-17)24-19(15-16-11-13-22-14-12-16)21(26)23-18-9-5-2-6-10-18/h1-15H,(H,23,26)(H,24,25)/b19-15+.
What are the key properties of N-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide?
N-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide has a molecular weight of 343.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5409139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).