4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide

C21H17F4N3O3 — CID 122539667

IUPAC4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCCCOc2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C21H17F4N3O3/c22-14-4-2-13(3-5-14)16-10-17(20(26)29)27-12-18(16)31-9-1-8-30-15-6-7-19(28-11-15)21(23,24)25/h2-7,10-12H,1,8-9H2,(H2,26,29)
InChIKeyYWSKZSRIBCCKHX-UHFFFAOYSA-N
MW435.38 g/mol
LogP4.25
Rot. Bonds8

About 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide

4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide (PubChem CID 122539667) has the molecular formula C21H17F4N3O3 and a molecular weight of 435.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide
PubChem CID122539667
Molecular FormulaC21H17F4N3O3
Molecular Weight435.38 g/mol
Exact Mass435.12
IUPAC Name4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCCCOc2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C21H17F4N3O3/c22-14-4-2-13(3-5-14)16-10-17(20(26)29)27-12-18(16)31-9-1-8-30-15-6-7-19(28-11-15)21(23,24)25/h2-7,10-12H,1,8-9H2,(H2,26,29)
InChIKeyYWSKZSRIBCCKHX-UHFFFAOYSA-N
XLogP4.25
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Suvecaltamide
CID 24765479
2-[4-(3-methylpyrazin-2-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 42609962
5-(4-((Phenethylamino)methyl)phenoxy)picolinamide
CID 44434951
N-(2-methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide
CID 90408826
2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 57948490
N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90407961
N-[5-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90408582
N-[5-[6-[(3R,4S)-3-fluorooxan-4-yl]oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609669
N-[5-[6-(4-deuteriooxan-4-yl)oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 118870913
4-tert-butyl-N-(6-pyridin-3-yloxypyridin-3-yl)benzamide
CID 2800172
N-(6-pyridin-3-yloxypyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 2800173
5-Ethoxy-Pyridine-2-Carboxylic Acid [3-((R)-2-Amino-5,5-Difluoro-4-Methyl-5,6-Dihydro-4h-[1,3]oxazin-4-Yl)-4-Fluoro-Phenyl]-Amide
CID 71305034

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide (CID 122539667) is 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(OCCCOc2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide?
The InChIKey is YWSKZSRIBCCKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N3O3/c22-14-4-2-13(3-5-14)16-10-17(20(26)29)27-12-18(16)31-9-1-8-30-15-6-7-19(28-11-15)21(23,24)25/h2-7,10-12H,1,8-9H2,(H2,26,29).
What are the key properties of 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide has a molecular weight of 435.38 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide is sourced from PubChem (CID 122539667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).