4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide

C20H12ClF4N3O4 — CID 137406632

IUPAC4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)cc3)ccc(Cl)c2F)ccn1
InChIInChI=1S/C20H12ClF4N3O4/c21-13-5-6-15(31-11-1-3-12(4-2-11)32-20(23,24)25)16(17(13)22)19(30)28-10-7-8-27-14(9-10)18(26)29/h1-9H,(H2,26,29)(H,27,28,30)
InChIKeyIXFQGAQGGMASQP-UHFFFAOYSA-N
MW469.78 g/mol
LogP4.92
Rot. Bonds6

About 4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide

4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide (PubChem CID 137406632) has the molecular formula C20H12ClF4N3O4 and a molecular weight of 469.78 g/mol. Its IUPAC name is 4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
PubChem CID137406632
Molecular FormulaC20H12ClF4N3O4
Molecular Weight469.78 g/mol
Exact Mass469.05
IUPAC Name4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)cc3)ccc(Cl)c2F)ccn1
InChIInChI=1S/C20H12ClF4N3O4/c21-13-5-6-15(31-11-1-3-12(4-2-11)32-20(23,24)25)16(17(13)22)19(30)28-10-7-8-27-14(9-10)18(26)29/h1-9H,(H2,26,29)(H,27,28,30)
InChIKeyIXFQGAQGGMASQP-UHFFFAOYSA-N
XLogP4.92
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.78
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide (CID 137406632) is 4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide is NC(=O)c1cc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)cc3)ccc(Cl)c2F)ccn1.
What is the InChIKey of 4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is IXFQGAQGGMASQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF4N3O4/c21-13-5-6-15(31-11-1-3-12(4-2-11)32-20(23,24)25)16(17(13)22)19(30)28-10-7-8-27-14(9-10)18(26)29/h1-9H,(H2,26,29)(H,27,28,30).
What are the key properties of 4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide?
4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 469.78 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 137406632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).