4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate

C41H30F4N4O8 — CID 158285072

IUPAC4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1.O=C(O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16F2N2O4.C20H14F2N2O4/c1-28-21(27)14-4-2-13(3-5-14)11-24-19(26)18-10-16(23)12-25-20(18)29-17-8-6-15(22)7-9-17;21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h2-10,12H,11H2,1H3,(H,24,26);1-9,11H,10H2,(H,23,25)(H,26,27)
InChIKeyGKRHWOCTOXWDLC-UHFFFAOYSA-N
MW782.70 g/mol
LogP7.65
Rot. Bonds12

About 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate

4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate (PubChem CID 158285072) has the molecular formula C41H30F4N4O8 and a molecular weight of 782.70 g/mol. Its IUPAC name is 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate.

Molecular Properties

Compound Name4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate
PubChem CID158285072
Molecular FormulaC41H30F4N4O8
Molecular Weight782.70 g/mol
Exact Mass782.20
IUPAC Name4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1.O=C(O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16F2N2O4.C20H14F2N2O4/c1-28-21(27)14-4-2-13(3-5-14)11-24-19(26)18-10-16(23)12-25-20(18)29-17-8-6-15(22)7-9-17;21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h2-10,12H,11H2,1H3,(H,24,26);1-9,11H,10H2,(H,23,25)(H,26,27)
InChIKeyGKRHWOCTOXWDLC-UHFFFAOYSA-N
XLogP7.65
TPSA166.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.70
LogP ≤ 57.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

4-[[[5-fluoro-2-(4-phenylmethoxyphenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 91108177
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4-[[[2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carbonyl]amino]methyl]benzoic acid
CID 69047562
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 58905325
[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride
CID 159167467
4-[[[2-(3-ethynylphenoxy)-5-fluoropyridine-3-carbonyl]amino]methyl]benzoic acid
CID 87672112
4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid;methyl 4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoate
CID 162055040
5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide
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5-fluoro-2-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
CID 142274034
2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 141335128
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
N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate?
The IUPAC name of 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate (CID 158285072) is 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate.
What is the SMILES notation for 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate?
The canonical SMILES for 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1.O=C(O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate?
The InChIKey is GKRHWOCTOXWDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O4.C20H14F2N2O4/c1-28-21(27)14-4-2-13(3-5-14)11-24-19(26)18-10-16(23)12-25-20(18)29-17-8-6-15(22)7-9-17;21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h2-10,12H,11H2,1H3,(H,24,26);1-9,11H,10H2,(H,23,25)(H,26,27).
What are the key properties of 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate?
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate has a molecular weight of 782.70 g/mol, XLogP of 7.65, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate is sourced from PubChem (CID 158285072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).