N-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide

C23H20ClN3O2 — CID 7289711

IUPACN-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)/C(=C/c1cccnc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H20ClN3O2/c24-20-10-8-17(9-11-20)12-14-26-23(29)21(15-18-5-4-13-25-16-18)27-22(28)19-6-2-1-3-7-19/h1-11,13,15-16H,12,14H2,(H,26,29)(H,27,28)/b21-15-
InChIKeyVUAKTEYFFKTDSP-QNGOZBTKSA-N
MW405.89 g/mol
LogP3.86
Rot. Bonds7

About N-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide

N-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide (PubChem CID 7289711) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
PubChem CID7289711
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC NameN-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)/C(=C/c1cccnc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H20ClN3O2/c24-20-10-8-17(9-11-20)12-14-26-23(29)21(15-18-5-4-13-25-16-18)27-22(28)19-6-2-1-3-7-19/h1-11,13,15-16H,12,14H2,(H,26,29)(H,27,28)/b21-15-
InChIKeyVUAKTEYFFKTDSP-QNGOZBTKSA-N
XLogP3.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.86
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-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide (CID 7289711) is N-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is O=C(NCCc1ccc(Cl)cc1)/C(=C/c1cccnc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The InChIKey is VUAKTEYFFKTDSP-QNGOZBTKSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c24-20-10-8-17(9-11-20)12-14-26-23(29)21(15-18-5-4-13-25-16-18)27-22(28)19-6-2-1-3-7-19/h1-11,13,15-16H,12,14H2,(H,26,29)(H,27,28)/b21-15-.
What are the key properties of N-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
N-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide has a molecular weight of 405.89 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[2-(4-chlorophenyl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 7289711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).