N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide

C23H20F3N5O5S — CID 118233980

IUPACN-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)c1cc(NC(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)nc2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N5O5S/c1-37(34,35)18-9-14(23(24,25)26)8-16(10-18)30-22(33)29-15-4-5-20(28-12-15)36-17-6-7-27-19(11-17)31-21(32)13-2-3-13/h4-13H,2-3H2,1H3,(H,27,31,32)(H2,29,30,33)
InChIKeyOFZXVZSRHPGDON-UHFFFAOYSA-N
MW535.50 g/mol
LogP4.68
Rot. Bonds7

About N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 118233980) has the molecular formula C23H20F3N5O5S and a molecular weight of 535.50 g/mol. Its IUPAC name is N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID118233980
Molecular FormulaC23H20F3N5O5S
Molecular Weight535.50 g/mol
Exact Mass535.11
IUPAC NameN-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)c1cc(NC(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)nc2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N5O5S/c1-37(34,35)18-9-14(23(24,25)26)8-16(10-18)30-22(33)29-15-4-5-20(28-12-15)36-17-6-7-27-19(11-17)31-21(32)13-2-3-13/h4-13H,2-3H2,1H3,(H,27,31,32)(H2,29,30,33)
InChIKeyOFZXVZSRHPGDON-UHFFFAOYSA-N
XLogP4.68
TPSA139.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.50
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-fluoro-4-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233810
N-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233803
ethyl 3-[3-[[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]carbamoylamino]-5-(trifluoromethyl)anilino]-2,2-dimethylpropanoate
CID 118233511
N-[4-[4-[[3-(1,1-difluoroethyl)-4-fluorophenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118234021
N-[4-[2-fluoro-4-[[3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233969
N-[4-[4-[[3-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233816
N-[4-[3-fluoro-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233698
N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233799
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
N-[4-[2-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233904
(2S)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51355181
N-(6-phenoxy-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 11719150

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide (CID 118233980) is N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide is CS(=O)(=O)c1cc(NC(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)nc2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is OFZXVZSRHPGDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O5S/c1-37(34,35)18-9-14(23(24,25)26)8-16(10-18)30-22(33)29-15-4-5-20(28-12-15)36-17-6-7-27-19(11-17)31-21(32)13-2-3-13/h4-13H,2-3H2,1H3,(H,27,31,32)(H2,29,30,33).
What are the key properties of N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 535.50 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 118233980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).