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

C19H19N3O3 — CID 5409132

IUPACN-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C/c1cccnc1)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C19H19N3O3/c23-18(16-6-2-1-3-7-16)21-17(13-15-5-4-8-20-14-15)19(24)22-9-11-25-12-10-22/h1-8,13-14H,9-12H2,(H,21,23)/b17-13+
InChIKeyFBQNLWWAEAESRP-GHRIWEEISA-N
MW337.38 g/mol
LogP1.71
Rot. Bonds4

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

N-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide (PubChem CID 5409132) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
PubChem CID5409132
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C/c1cccnc1)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C19H19N3O3/c23-18(16-6-2-1-3-7-16)21-17(13-15-5-4-8-20-14-15)19(24)22-9-11-25-12-10-22/h1-8,13-14H,9-12H2,(H,21,23)/b17-13+
InChIKeyFBQNLWWAEAESRP-GHRIWEEISA-N
XLogP1.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.71
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 N-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide (CID 5409132) is N-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-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)c1ccccc1.
What is the InChIKey of N-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The InChIKey is FBQNLWWAEAESRP-GHRIWEEISA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(16-6-2-1-3-7-16)21-17(13-15-5-4-8-20-14-15)19(24)22-9-11-25-12-10-22/h1-8,13-14H,9-12H2,(H,21,23)/b17-13+.
What are the key properties of N-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
N-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5409132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).