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

C30H23N3O3 — CID 22787783

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

N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide (PubChem CID 22787783) has the molecular formula C30H23N3O3 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide
• PubChem CID: 22787783
• Molecular Formula: C30H23N3O3
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.17
• IUPAC Name: N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide
• SMILES: O=C(Nc1ccc(C(=O)/C=C/c2ccccc2)cc1)/C(=C/c1cccnc1)NC(=O)c1ccccc1
• InChI: InChI=1S/C30H23N3O3/c34-28(18-13-22-8-3-1-4-9-22)24-14-16-26(17-15-24)32-30(36)27(20-23-10-7-19-31-21-23)33-29(35)25-11-5-2-6-12-25/h1-21H,(H,32,36)(H,33,35)/b18-13+,27-20-
• InChIKey: LAFPMXTXHRZLGF-OSOZLJFVSA-N
• XLogP: 5.39
• TPSA: 88.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide?

The IUPAC name of N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide (CID 22787783) is N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide.

What is the SMILES notation for N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide?

The canonical SMILES for N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide is O=C(Nc1ccc(C(=O)/C=C/c2ccccc2)cc1)/C(=C/c1cccnc1)NC(=O)c1ccccc1.

What is the InChIKey of N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide?

The InChIKey is LAFPMXTXHRZLGF-OSOZLJFVSA-N. The full InChI is InChI=1S/C30H23N3O3/c34-28(18-13-22-8-3-1-4-9-22)24-14-16-26(17-15-24)32-30(36)27(20-23-10-7-19-31-21-23)33-29(35)25-11-5-2-6-12-25/h1-21H,(H,32,36)(H,33,35)/b18-13+,27-20-.

What are the key properties of N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide?

N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide has a molecular weight of 473.53 g/mol, XLogP of 5.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 22787783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).