4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide

C24H21F5N4O5 — CID 154644850

IUPAC4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2c(Oc3ccc(F)c(F)c3OC)cc(OC)c(C(F)(F)F)c2NC)ccn1
InChIInChI=1S/C24H21F5N4O5/c1-30-20-17(23(35)33-11-7-8-32-13(9-11)22(34)31-2)15(10-16(36-3)18(20)24(27,28)29)38-14-6-5-12(25)19(26)21(14)37-4/h5-10,30H,1-4H3,(H,31,34)(H,32,33,35)
InChIKeyRERISFCTNWQALO-UHFFFAOYSA-N
MW540.45 g/mol
LogP4.84
Rot. Bonds8

About 4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide

4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 154644850) has the molecular formula C24H21F5N4O5 and a molecular weight of 540.45 g/mol. Its IUPAC name is 4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide
PubChem CID154644850
Molecular FormulaC24H21F5N4O5
Molecular Weight540.45 g/mol
Exact Mass540.14
IUPAC Name4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2c(Oc3ccc(F)c(F)c3OC)cc(OC)c(C(F)(F)F)c2NC)ccn1
InChIInChI=1S/C24H21F5N4O5/c1-30-20-17(23(35)33-11-7-8-32-13(9-11)22(34)31-2)15(10-16(36-3)18(20)24(27,28)29)38-14-6-5-12(25)19(26)21(14)37-4/h5-10,30H,1-4H3,(H,31,34)(H,32,33,35)
InChIKeyRERISFCTNWQALO-UHFFFAOYSA-N
XLogP4.84
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.45
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[[6-(3,4-difluoro-2-methoxyphenoxy)-2-fluoro-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyrimidine-2-carboxylate
CID 154645475
4-[[4-chloro-6-(3,4-difluoro-2-methoxyphenoxy)-2-fluoro-3-methylbenzoyl]amino]pyridine-2-carboxamide
CID 154645130
4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645316
4-[[2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;methyl 4-[[2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
CID 157110292
N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide
CID 169249630
methyl 4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)-2-(trihydroxymethoxy)phenoxy]-3-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxylate
CID 137418656
4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370765
4-(3,4-difluoro-2-methoxyphenoxy)-N-(3-methylsulfanylphenyl)-6-(trifluoromethyl)pyridazine-3-carboxamide;ethane
CID 171071780
4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370824
4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-N,N-dimethylpyridine-2-carboxamide
CID 137410927
methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate
CID 137410960
4-(4-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109221059

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide (CID 154644850) is 4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(NC(=O)c2c(Oc3ccc(F)c(F)c3OC)cc(OC)c(C(F)(F)F)c2NC)ccn1.
What is the InChIKey of 4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is RERISFCTNWQALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F5N4O5/c1-30-20-17(23(35)33-11-7-8-32-13(9-11)22(34)31-2)15(10-16(36-3)18(20)24(27,28)29)38-14-6-5-12(25)19(26)21(14)37-4/h5-10,30H,1-4H3,(H,31,34)(H,32,33,35).
What are the key properties of 4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide?
4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 540.45 g/mol, XLogP of 4.84, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 154644850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).