2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide

C19H18FN3O3 — CID 3258249

IUPAC2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide
SMILESO=C(NC(=Cc1cccnc1)C(=O)N1CCOCC1)c1ccccc1F
InChIInChI=1S/C19H18FN3O3/c20-16-6-2-1-5-15(16)18(24)22-17(12-14-4-3-7-21-13-14)19(25)23-8-10-26-11-9-23/h1-7,12-13H,8-11H2,(H,22,24)
InChIKeyKSPLJAWPUSEYLC-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.85
Rot. Bonds4

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

2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide (PubChem CID 3258249) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide
PubChem CID3258249
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide
SMILESO=C(NC(=Cc1cccnc1)C(=O)N1CCOCC1)c1ccccc1F
InChIInChI=1S/C19H18FN3O3/c20-16-6-2-1-5-15(16)18(24)22-17(12-14-4-3-7-21-13-14)19(25)23-8-10-26-11-9-23/h1-7,12-13H,8-11H2,(H,22,24)
InChIKeyKSPLJAWPUSEYLC-UHFFFAOYSA-N
XLogP1.85
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.85
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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Related Compounds

2-chloro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide
CID 3850864
4-methyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 22301441
N-[3-(azepan-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 818818
N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 6531421
N-[1-(4-bromophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide
CID 1042800
N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide
CID 2908322
N-[(E)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 7303980
2-bromo-N-[(E)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2245671
2-chloro-N-[1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
CID 1163152
3,4-dimethoxy-N-[(E)-3-(4-methylpiperazin-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 6046931
N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 92982413
N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
CID 3118289

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide (CID 3258249) is 2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide is O=C(NC(=Cc1cccnc1)C(=O)N1CCOCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide?
The InChIKey is KSPLJAWPUSEYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-16-6-2-1-5-15(16)18(24)22-17(12-14-4-3-7-21-13-14)19(25)23-8-10-26-11-9-23/h1-7,12-13H,8-11H2,(H,22,24).
What are the key properties of 2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide?
2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide has a molecular weight of 355.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide is sourced from PubChem (CID 3258249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).