4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide

C23H21F3N4O4 — CID 10195523

IUPAC4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2ccnc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C23H21F3N4O4/c1-30(2)21(31)19-13-17(10-11-27-19)34-16-7-5-15(6-8-16)28-22(32)29-18-12-14(23(24,25)26)4-9-20(18)33-3/h4-13H,1-3H3,(H2,28,29,32)
InChIKeyMZDBKHKEYUDMAB-UHFFFAOYSA-N
MW474.44 g/mol
LogP5.25
Rot. Bonds6

About 4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide

4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 10195523) has the molecular formula C23H21F3N4O4 and a molecular weight of 474.44 g/mol. Its IUPAC name is 4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide
PubChem CID10195523
Molecular FormulaC23H21F3N4O4
Molecular Weight474.44 g/mol
Exact Mass474.15
IUPAC Name4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2ccnc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C23H21F3N4O4/c1-30(2)21(31)19-13-17(10-11-27-19)34-16-7-5-15(6-8-16)28-22(32)29-18-12-14(23(24,25)26)4-9-20(18)33-3/h4-13H,1-3H3,(H2,28,29,32)
InChIKeyMZDBKHKEYUDMAB-UHFFFAOYSA-N
XLogP5.25
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.44
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide (CID 10195523) is 4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide is COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2ccnc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of 4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is MZDBKHKEYUDMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O4/c1-30(2)21(31)19-13-17(10-11-27-19)34-16-7-5-15(6-8-16)28-22(32)29-18-12-14(23(24,25)26)4-9-20(18)33-3/h4-13H,1-3H3,(H2,28,29,32).
What are the key properties of 4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide?
4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 10195523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).