N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide

C19H21FN4O3 — CID 18589276

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccncc1
InChIInChI=1S/C19H21FN4O3/c20-15-3-1-14(2-4-15)17(24-9-11-27-12-10-24)13-22-18(25)19(26)23-16-5-7-21-8-6-16/h1-8,17H,9-13H2,(H,22,25)(H,21,23,26)
InChIKeyXLNNANYISGVVIN-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.35
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide (PubChem CID 18589276) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide
PubChem CID18589276
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccncc1
InChIInChI=1S/C19H21FN4O3/c20-15-3-1-14(2-4-15)17(24-9-11-27-12-10-24)13-22-18(25)19(26)23-16-5-7-21-8-6-16/h1-8,17H,9-13H2,(H,22,25)(H,21,23,26)
InChIKeyXLNNANYISGVVIN-UHFFFAOYSA-N
XLogP1.35
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide (CID 18589276) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide is O=C(NCC(c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccncc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide?
The InChIKey is XLNNANYISGVVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c20-15-3-1-14(2-4-15)17(24-9-11-27-12-10-24)13-22-18(25)19(26)23-16-5-7-21-8-6-16/h1-8,17H,9-13H2,(H,22,25)(H,21,23,26).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide has a molecular weight of 372.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-pyridin-4-yloxamide is sourced from PubChem (CID 18589276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).