5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide

C22H19F3N4O4 — CID 10151709

IUPAC5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2)c1
InChIInChI=1S/C22H19F3N4O4/c1-26-20(30)13-9-17(12-27-11-13)33-16-6-4-15(5-7-16)28-21(31)29-18-10-14(22(23,24)25)3-8-19(18)32-2/h3-12H,1-2H3,(H,26,30)(H2,28,29,31)
InChIKeyOZGQSQRCCMOEIU-UHFFFAOYSA-N
MW460.41 g/mol
LogP4.90
Rot. Bonds6

About 5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide

5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide (PubChem CID 10151709) has the molecular formula C22H19F3N4O4 and a molecular weight of 460.41 g/mol. Its IUPAC name is 5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide
PubChem CID10151709
Molecular FormulaC22H19F3N4O4
Molecular Weight460.41 g/mol
Exact Mass460.14
IUPAC Name5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2)c1
InChIInChI=1S/C22H19F3N4O4/c1-26-20(30)13-9-17(12-27-11-13)33-16-6-4-15(5-7-16)28-21(31)29-18-10-14(22(23,24)25)3-8-19(18)32-2/h3-12H,1-2H3,(H,26,30)(H2,28,29,31)
InChIKeyOZGQSQRCCMOEIU-UHFFFAOYSA-N
XLogP4.90
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide (CID 10151709) is 5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2)c1.
What is the InChIKey of 5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide?
The InChIKey is OZGQSQRCCMOEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O4/c1-26-20(30)13-9-17(12-27-11-13)33-16-6-4-15(5-7-16)28-21(31)29-18-10-14(22(23,24)25)3-8-19(18)32-2/h3-12H,1-2H3,(H,26,30)(H2,28,29,31).
What are the key properties of 5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide?
5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide has a molecular weight of 460.41 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 10151709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).