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

C19H13F4N3O2 — CID 122539705

IUPAC4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(COc2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C19H13F4N3O2/c20-13-3-1-11(2-4-13)15-7-16(18(24)27)25-8-12(15)10-28-14-5-6-17(26-9-14)19(21,22)23/h1-9H,10H2,(H2,24,27)
InChIKeyJESWIORZVKUFCV-UHFFFAOYSA-N
MW391.32 g/mol
LogP3.98
Rot. Bonds5

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

4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-2-carboxamide (PubChem CID 122539705) has the molecular formula C19H13F4N3O2 and a molecular weight of 391.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-2-carboxamide
PubChem CID122539705
Molecular FormulaC19H13F4N3O2
Molecular Weight391.32 g/mol
Exact Mass391.09
IUPAC Name4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(COc2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C19H13F4N3O2/c20-13-3-1-11(2-4-13)15-7-16(18(24)27)25-8-12(15)10-28-14-5-6-17(26-9-14)19(21,22)23/h1-9H,10H2,(H2,24,27)
InChIKeyJESWIORZVKUFCV-UHFFFAOYSA-N
XLogP3.98
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-2-carboxamide (CID 122539705) is 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(COc2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-2-carboxamide?
The InChIKey is JESWIORZVKUFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O2/c20-13-3-1-11(2-4-13)15-7-16(18(24)27)25-8-12(15)10-28-14-5-6-17(26-9-14)19(21,22)23/h1-9H,10H2,(H2,24,27).
What are the key properties of 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-2-carboxamide has a molecular weight of 391.32 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-2-carboxamide is sourced from PubChem (CID 122539705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).