4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide

C21H17F3N4O4 — CID 67505471

IUPAC4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1N(C(N)=O)c1cccc(Oc2ccnc(C(N)=O)c2)c1
InChIInChI=1S/C21H17F3N4O4/c1-31-18-6-5-12(21(22,23)24)9-17(18)28(20(26)30)13-3-2-4-14(10-13)32-15-7-8-27-16(11-15)19(25)29/h2-11H,1H3,(H2,25,29)(H2,26,30)
InChIKeyFNPVOVAHGIJOBN-UHFFFAOYSA-N
MW446.39 g/mol
LogP4.22
Rot. Bonds6

About 4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide

4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide (PubChem CID 67505471) has the molecular formula C21H17F3N4O4 and a molecular weight of 446.39 g/mol. Its IUPAC name is 4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide
PubChem CID67505471
Molecular FormulaC21H17F3N4O4
Molecular Weight446.39 g/mol
Exact Mass446.12
IUPAC Name4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1N(C(N)=O)c1cccc(Oc2ccnc(C(N)=O)c2)c1
InChIInChI=1S/C21H17F3N4O4/c1-31-18-6-5-12(21(22,23)24)9-17(18)28(20(26)30)13-3-2-4-14(10-13)32-15-7-8-27-16(11-15)19(25)29/h2-11H,1H3,(H2,25,29)(H2,26,30)
InChIKeyFNPVOVAHGIJOBN-UHFFFAOYSA-N
XLogP4.22
TPSA120.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide
CID 70978045
4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 123767237
1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 162542494
4-[3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]phenoxy]pyridine-2-carboxamide
CID 11683382
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 54212873
1-(5-tert-butyl-2-methoxyphenyl)-1-[4-(pyridin-4-ylmethyl)phenyl]urea
CID 70896703
2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide
CID 11212599
4-[4-[1-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044447
4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 51354511
dimethyl (E)-2-[3-[(2-carbamoyl-4-pyridinyl)oxy]anilino]but-2-enedioate
CID 168567103
4-(3-methoxyphenoxy)pyridine-2-carbothioamide
CID 62925939
N-methyl-4-[3-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919866

Frequently Asked Questions

What is the IUPAC name of 4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide (CID 67505471) is 4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide is COc1ccc(C(F)(F)F)cc1N(C(N)=O)c1cccc(Oc2ccnc(C(N)=O)c2)c1.
What is the InChIKey of 4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide?
The InChIKey is FNPVOVAHGIJOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O4/c1-31-18-6-5-12(21(22,23)24)9-17(18)28(20(26)30)13-3-2-4-14(10-13)32-15-7-8-27-16(11-15)19(25)29/h2-11H,1H3,(H2,25,29)(H2,26,30).
What are the key properties of 4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide?
4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide has a molecular weight of 446.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[N-carbamoyl-2-methoxy-5-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 67505471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).