N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide

C23H17F3N6O3 — CID 118233799

IUPACN-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESN#Cc1ccc(NC(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cn2)cc1C(F)(F)F
InChIInChI=1S/C23H17F3N6O3/c24-23(25,26)18-9-15(4-3-14(18)11-27)30-22(34)32-19-6-5-17(12-29-19)35-16-7-8-28-20(10-16)31-21(33)13-1-2-13/h3-10,12-13H,1-2H2,(H,28,31,33)(H2,29,30,32,34)
InChIKeySGWAIEWMTQWUJP-UHFFFAOYSA-N
MW482.42 g/mol
LogP5.15
Rot. Bonds6

About N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 118233799) has the molecular formula C23H17F3N6O3 and a molecular weight of 482.42 g/mol. Its IUPAC name is N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID118233799
Molecular FormulaC23H17F3N6O3
Molecular Weight482.42 g/mol
Exact Mass482.13
IUPAC NameN-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESN#Cc1ccc(NC(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cn2)cc1C(F)(F)F
InChIInChI=1S/C23H17F3N6O3/c24-23(25,26)18-9-15(4-3-14(18)11-27)30-22(34)32-19-6-5-17(12-29-19)35-16-7-8-28-20(10-16)31-21(33)13-1-2-13/h3-10,12-13H,1-2H2,(H,28,31,33)(H2,29,30,32,34)
InChIKeySGWAIEWMTQWUJP-UHFFFAOYSA-N
XLogP5.15
TPSA129.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.42
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[4-[3-fluoro-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233698
N-[4-[4-[[3-(1,1-difluoroethyl)-4-fluorophenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118234021
N-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233803
N-[4-[2-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233904
N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 90426519
N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233838
N-[6-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118233975
N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233980
N-[4-[4-[[3-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233816
N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide
CID 86272978
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yloxy)phenyl]urea
CID 135385635
N-[4-[2-fluoro-4-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233810

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide (CID 118233799) is N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide is N#Cc1ccc(NC(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cn2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is SGWAIEWMTQWUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O3/c24-23(25,26)18-9-15(4-3-14(18)11-27)30-22(34)32-19-6-5-17(12-29-19)35-16-7-8-28-20(10-16)31-21(33)13-1-2-13/h3-10,12-13H,1-2H2,(H,28,31,33)(H2,29,30,32,34).
What are the key properties of N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 482.42 g/mol, XLogP of 5.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 118233799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).