5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide

C15H17FN4O3 — CID 169248582

IUPAC5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide
SMILESC=C(NC(=O)c1ccc(F)cn1)OC(=C)C(=O)N1CCNCC1
InChIInChI=1S/C15H17FN4O3/c1-10(15(22)20-7-5-17-6-8-20)23-11(2)19-14(21)13-4-3-12(16)9-18-13/h3-4,9,17H,1-2,5-8H2,(H,19,21)
InChIKeyATBHTZQGIPURAK-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.38
Rot. Bonds5

About 5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide

5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide (PubChem CID 169248582) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is 5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide
PubChem CID169248582
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide
SMILESC=C(NC(=O)c1ccc(F)cn1)OC(=C)C(=O)N1CCNCC1
InChIInChI=1S/C15H17FN4O3/c1-10(15(22)20-7-5-17-6-8-20)23-11(2)19-14(21)13-4-3-12(16)9-18-13/h3-4,9,17H,1-2,5-8H2,(H,19,21)
InChIKeyATBHTZQGIPURAK-UHFFFAOYSA-N
XLogP0.38
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide (CID 169248582) is 5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide is C=C(NC(=O)c1ccc(F)cn1)OC(=C)C(=O)N1CCNCC1.
What is the InChIKey of 5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide?
The InChIKey is ATBHTZQGIPURAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-10(15(22)20-7-5-17-6-8-20)23-11(2)19-14(21)13-4-3-12(16)9-18-13/h3-4,9,17H,1-2,5-8H2,(H,19,21).
What are the key properties of 5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide?
5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide is sourced from PubChem (CID 169248582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).