5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate

C46H42F4N4O9 — CID 161298035

IUPAC5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate
SMILESCCC(N)c1ccc(C(=O)OC)cc1.CCC(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)OC)cc1.O=C(O)c1cc(F)cnc1Oc1ccc(F)cc1
InChIInChI=1S/C23H20F2N2O4.C12H7F2NO3.C11H15NO2/c1-3-20(14-4-6-15(7-5-14)23(29)30-2)27-21(28)19-12-17(25)13-26-22(19)31-18-10-8-16(24)9-11-18;13-7-1-3-9(4-2-7)18-11-10(12(16)17)5-8(14)6-15-11;1-3-10(12)8-4-6-9(7-5-8)11(13)14-2/h4-13,20H,3H2,1-2H3,(H,27,28);1-6H,(H,16,17);4-7,10H,3,12H2,1-2H3
InChIKeyVHFUHWBCYHMLBY-UHFFFAOYSA-N
MW870.85 g/mol
LogP9.55
Rot. Bonds13

About 5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate

5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate (PubChem CID 161298035) has the molecular formula C46H42F4N4O9 and a molecular weight of 870.85 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate.

Molecular Properties

Compound Name5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate
PubChem CID161298035
Molecular FormulaC46H42F4N4O9
Molecular Weight870.85 g/mol
Exact Mass870.29
IUPAC Name5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate
SMILESCCC(N)c1ccc(C(=O)OC)cc1.CCC(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)OC)cc1.O=C(O)c1cc(F)cnc1Oc1ccc(F)cc1
InChIInChI=1S/C23H20F2N2O4.C12H7F2NO3.C11H15NO2/c1-3-20(14-4-6-15(7-5-14)23(29)30-2)27-21(28)19-12-17(25)13-26-22(19)31-18-10-8-16(24)9-11-18;13-7-1-3-9(4-2-7)18-11-10(12(16)17)5-8(14)6-15-11;1-3-10(12)8-4-6-9(7-5-8)11(13)14-2/h4-13,20H,3H2,1-2H3,(H,27,28);1-6H,(H,16,17);4-7,10H,3,12H2,1-2H3
InChIKeyVHFUHWBCYHMLBY-UHFFFAOYSA-N
XLogP9.55
TPSA189.26 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500870.85
LogP ≤ 59.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate?
The IUPAC name of 5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate (CID 161298035) is 5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate.
What is the SMILES notation for 5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate?
The canonical SMILES for 5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate is CCC(N)c1ccc(C(=O)OC)cc1.CCC(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)OC)cc1.O=C(O)c1cc(F)cnc1Oc1ccc(F)cc1.
What is the InChIKey of 5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate?
The InChIKey is VHFUHWBCYHMLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O4.C12H7F2NO3.C11H15NO2/c1-3-20(14-4-6-15(7-5-14)23(29)30-2)27-21(28)19-12-17(25)13-26-22(19)31-18-10-8-16(24)9-11-18;13-7-1-3-9(4-2-7)18-11-10(12(16)17)5-8(14)6-15-11;1-3-10(12)8-4-6-9(7-5-8)11(13)14-2/h4-13,20H,3H2,1-2H3,(H,27,28);1-6H,(H,16,17);4-7,10H,3,12H2,1-2H3.
What are the key properties of 5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate?
5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate has a molecular weight of 870.85 g/mol, XLogP of 9.55, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate is sourced from PubChem (CID 161298035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).