N-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide

C21H18F3N3O3 — CID 16757105

IUPACN-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1cc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C21H18F3N3O3/c22-21(23,24)19-16(12-17(30-19)14-4-2-1-3-5-14)20(28)26-15-6-7-18(25-13-15)27-8-10-29-11-9-27/h1-7,12-13H,8-11H2,(H,26,28)
InChIKeyWIHHZGFYJRFSHB-UHFFFAOYSA-N
MW417.39 g/mol
LogP4.45
Rot. Bonds4

About N-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide

N-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 16757105) has the molecular formula C21H18F3N3O3 and a molecular weight of 417.39 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID16757105
Molecular FormulaC21H18F3N3O3
Molecular Weight417.39 g/mol
Exact Mass417.13
IUPAC NameN-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1cc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C21H18F3N3O3/c22-21(23,24)19-16(12-17(30-19)14-4-2-1-3-5-14)20(28)26-15-6-7-18(25-13-15)27-8-10-29-11-9-27/h1-7,12-13H,8-11H2,(H,26,28)
InChIKeyWIHHZGFYJRFSHB-UHFFFAOYSA-N
XLogP4.45
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide with MolForge

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Related Compounds

Sonidegib
CID 24775005
4-Fluoro-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl]benzamide
CID 16070216
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757011
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (2-morpholin-4-yl-pyrimidin-5-yl)-amide
CID 16757014
Dgat1-IN-3
CID 16757107
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid[6-(3-Ethoxyazetidin-1-yl)pyridin-3-yl]amide
CID 52936727
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid[6-(3,3-Difluoroazetidin-1-yl)pyridin-3-yl]amide
CID 52936729
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid[6-(4-Cyclopropanecarbonylpiperazin-1-yl)pyridin-3-yl]-amide
CID 52936731
4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]pyridin-2-yl}piperazine-1-carboxylic Acid Methyl Ester
CID 52936838
4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]pyridin-2-yl}piperazine-1-carboxylic Acid Ethyl Ester
CID 52936839
4-(4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]pyridin-2-yl}piperazine-1-carbonyl)-trans-cyclohexanecarboxylic Acid
CID 52936956
Sonidegib;LDE225; NVP-LDE 225
CID 53396339

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide (CID 16757105) is N-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for N-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for N-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)nc1)c1cc(-c2ccccc2)oc1C(F)(F)F.
What is the InChIKey of N-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is WIHHZGFYJRFSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3/c22-21(23,24)19-16(12-17(30-19)14-4-2-1-3-5-14)20(28)26-15-6-7-18(25-13-15)27-8-10-29-11-9-27/h1-7,12-13H,8-11H2,(H,26,28).
What are the key properties of N-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide?
N-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-3-pyridinyl)-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 16757105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).