N-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide

C28H23F3N4O5 — CID 10289677

IUPACN-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4OC)cc3)c2)cn1
InChIInChI=1S/C28H23F3N4O5/c1-38-24-12-6-18(28(29,30)31)15-23(24)35-27(37)34-19-7-10-21(11-8-19)40-22-5-3-4-17(14-22)26(36)33-20-9-13-25(39-2)32-16-20/h3-16H,1-2H3,(H,33,36)(H2,34,35,37)
InChIKeyHDKGCHWBSLPDFT-UHFFFAOYSA-N
MW552.51 g/mol
LogP6.81
Rot. Bonds8

About N-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide

N-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide (PubChem CID 10289677) has the molecular formula C28H23F3N4O5 and a molecular weight of 552.51 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide
PubChem CID10289677
Molecular FormulaC28H23F3N4O5
Molecular Weight552.51 g/mol
Exact Mass552.16
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4OC)cc3)c2)cn1
InChIInChI=1S/C28H23F3N4O5/c1-38-24-12-6-18(28(29,30)31)15-23(24)35-27(37)34-19-7-10-21(11-8-19)40-22-5-3-4-17(14-22)26(36)33-20-9-13-25(39-2)32-16-20/h3-16H,1-2H3,(H,33,36)(H2,34,35,37)
InChIKeyHDKGCHWBSLPDFT-UHFFFAOYSA-N
XLogP6.81
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.51
LogP ≤ 56.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide with MolForge

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Related Compounds

N-(2-methoxy-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108988
N-methyl-4-(4-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinamide
CID 49830591
N-(6-methoxypyridin-3-yl)-3-phenoxybenzamide
CID 16295584
4-(4-(3-(2-methoxy-5-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpicolinamide
CID 10127660
5-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureido]-phenoxy}-N-methyl-nicotinamide
CID 10151709
4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide
CID 10195523
4-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureido]-phenoxy}-pyridine-2-carboxylic acid ethylamide
CID 10238782
3-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureido]-phenoxy}-N-pyridin-3-yl-benzamide
CID 10289414
3-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido]-phenoxy}-N-pyridin-3-yl-benzamide
CID 10311642
5-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureido]-phenoxy}-N-(2-morpholin-4-yl-ethyl)-nicotinamide
CID 10311959
N-(3-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)-3-(trifluoro-methoxy)benzamide
CID 44133722
N-(3-(2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)-3-(trifluoro methoxy)benzamide
CID 44134091

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide (CID 10289677) is N-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide is COc1ccc(NC(=O)c2cccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4OC)cc3)c2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide?
The InChIKey is HDKGCHWBSLPDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O5/c1-38-24-12-6-18(28(29,30)31)15-23(24)35-27(37)34-19-7-10-21(11-8-19)40-22-5-3-4-17(14-22)26(36)33-20-9-13-25(39-2)32-16-20/h3-16H,1-2H3,(H,33,36)(H2,34,35,37).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide?
N-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide has a molecular weight of 552.51 g/mol, XLogP of 6.81, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide is sourced from PubChem (CID 10289677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).