5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

C21H26FN3O3 — CID 122539756

IUPAC5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESCC1(C)CN(CCCOc2cnc(C(N)=O)cc2-c2ccc(F)cc2)CCO1
InChIInChI=1S/C21H26FN3O3/c1-21(2)14-25(9-11-28-21)8-3-10-27-19-13-24-18(20(23)26)12-17(19)15-4-6-16(22)7-5-15/h4-7,12-13H,3,8-11,14H2,1-2H3,(H2,23,26)
InChIKeyAMAVCCNMHZQLHW-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.87
Rot. Bonds7

About 5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 122539756) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID122539756
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESCC1(C)CN(CCCOc2cnc(C(N)=O)cc2-c2ccc(F)cc2)CCO1
InChIInChI=1S/C21H26FN3O3/c1-21(2)14-25(9-11-28-21)8-3-10-27-19-13-24-18(20(23)26)12-17(19)15-4-6-16(22)7-5-15/h4-7,12-13H,3,8-11,14H2,1-2H3,(H2,23,26)
InChIKeyAMAVCCNMHZQLHW-UHFFFAOYSA-N
XLogP2.87
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (CID 122539756) is 5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is CC1(C)CN(CCCOc2cnc(C(N)=O)cc2-c2ccc(F)cc2)CCO1.
What is the InChIKey of 5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is AMAVCCNMHZQLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-21(2)14-25(9-11-28-21)8-3-10-27-19-13-24-18(20(23)26)12-17(19)15-4-6-16(22)7-5-15/h4-7,12-13H,3,8-11,14H2,1-2H3,(H2,23,26).
What are the key properties of 5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 122539756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).