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

C22H15ClF5N3O6 — CID 154645064

IUPAC4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide
SMILESCOc1c(Cl)cc(Oc2ccc(OC(F)(F)F)c(F)c2OC)c(C(=O)Nc2ccnc(C(N)=O)c2)c1F
InChIInChI=1S/C22H15ClF5N3O6/c1-34-18-10(23)8-14(36-13-4-3-12(37-22(26,27)28)16(24)19(13)35-2)15(17(18)25)21(33)31-9-5-6-30-11(7-9)20(29)32/h3-8H,1-2H3,(H2,29,32)(H,30,31,33)
InChIKeyUNZJJSNMFVNRCI-UHFFFAOYSA-N
MW547.82 g/mol
LogP5.07
Rot. Bonds8

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

4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645064) has the molecular formula C22H15ClF5N3O6 and a molecular weight of 547.82 g/mol. Its IUPAC name is 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide
PubChem CID154645064
Molecular FormulaC22H15ClF5N3O6
Molecular Weight547.82 g/mol
Exact Mass547.06
IUPAC Name4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide
SMILESCOc1c(Cl)cc(Oc2ccc(OC(F)(F)F)c(F)c2OC)c(C(=O)Nc2ccnc(C(N)=O)c2)c1F
InChIInChI=1S/C22H15ClF5N3O6/c1-34-18-10(23)8-14(36-13-4-3-12(37-22(26,27)28)16(24)19(13)35-2)15(17(18)25)21(33)31-9-5-6-30-11(7-9)20(29)32/h3-8H,1-2H3,(H2,29,32)(H,30,31,33)
InChIKeyUNZJJSNMFVNRCI-UHFFFAOYSA-N
XLogP5.07
TPSA122.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.82
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide (CID 154645064) is 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide is COc1c(Cl)cc(Oc2ccc(OC(F)(F)F)c(F)c2OC)c(C(=O)Nc2ccnc(C(N)=O)c2)c1F.
What is the InChIKey of 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide?
The InChIKey is UNZJJSNMFVNRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF5N3O6/c1-34-18-10(23)8-14(36-13-4-3-12(37-22(26,27)28)16(24)19(13)35-2)15(17(18)25)21(33)31-9-5-6-30-11(7-9)20(29)32/h3-8H,1-2H3,(H2,29,32)(H,30,31,33).
What are the key properties of 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide?
4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide has a molecular weight of 547.82 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).