4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid

C22H18F2N2O4 — CID 58905313

IUPAC4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid
SMILESCCC(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C22H18F2N2O4/c1-2-19(13-3-5-14(6-4-13)22(28)29)26-20(27)18-11-16(24)12-25-21(18)30-17-9-7-15(23)8-10-17/h3-12,19H,2H2,1H3,(H,26,27)(H,28,29)
InChIKeyIADBLMLHTCHVGC-UHFFFAOYSA-N
MW412.39 g/mol
LogP4.73
Rot. Bonds7

About 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid

4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid (PubChem CID 58905313) has the molecular formula C22H18F2N2O4 and a molecular weight of 412.39 g/mol. Its IUPAC name is 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid.

Molecular Properties

Compound Name4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid
PubChem CID58905313
Molecular FormulaC22H18F2N2O4
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC Name4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid
SMILESCCC(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C22H18F2N2O4/c1-2-19(13-3-5-14(6-4-13)22(28)29)26-20(27)18-11-16(24)12-25-21(18)30-17-9-7-15(23)8-10-17/h3-12,19H,2H2,1H3,(H,26,27)(H,28,29)
InChIKeyIADBLMLHTCHVGC-UHFFFAOYSA-N
XLogP4.73
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid?
The IUPAC name of 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid (CID 58905313) is 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid.
What is the SMILES notation for 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid?
The canonical SMILES for 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid is CCC(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid?
The InChIKey is IADBLMLHTCHVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O4/c1-2-19(13-3-5-14(6-4-13)22(28)29)26-20(27)18-11-16(24)12-25-21(18)30-17-9-7-15(23)8-10-17/h3-12,19H,2H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid?
4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid has a molecular weight of 412.39 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid is sourced from PubChem (CID 58905313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).