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

C19H18BrN3O3 — CID 5347405

IUPAC3-bromo-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C\c1cccnc1)C(=O)N1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C19H18BrN3O3/c20-16-5-1-4-15(12-16)18(24)22-17(11-14-3-2-6-21-13-14)19(25)23-7-9-26-10-8-23/h1-6,11-13H,7-10H2,(H,22,24)/b17-11-
InChIKeyZRNLNPDLUKNXTM-BOPFTXTBSA-N
MW416.28 g/mol
LogP2.47
Rot. Bonds4

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

3-bromo-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide (PubChem CID 5347405) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
PubChem CID5347405
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name3-bromo-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C\c1cccnc1)C(=O)N1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C19H18BrN3O3/c20-16-5-1-4-15(12-16)18(24)22-17(11-14-3-2-6-21-13-14)19(25)23-7-9-26-10-8-23/h1-6,11-13H,7-10H2,(H,22,24)/b17-11-
InChIKeyZRNLNPDLUKNXTM-BOPFTXTBSA-N
XLogP2.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-bromo-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The IUPAC name of 3-bromo-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide (CID 5347405) is 3-bromo-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for 3-bromo-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is O=C(N/C(=C\c1cccnc1)C(=O)N1CCOCC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The InChIKey is ZRNLNPDLUKNXTM-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c20-16-5-1-4-15(12-16)18(24)22-17(11-14-3-2-6-21-13-14)19(25)23-7-9-26-10-8-23/h1-6,11-13H,7-10H2,(H,22,24)/b17-11-.
What are the key properties of 3-bromo-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
3-bromo-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide has a molecular weight of 416.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5347405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).