2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide

C20H16F3N3O3 — CID 90680810

IUPAC2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(COc3ncccc3C(N)=O)nc2)c(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O3/c1-28-14-6-7-15(17(9-14)20(21,22)23)12-4-5-13(26-10-12)11-29-19-16(18(24)27)3-2-8-25-19/h2-10H,11H2,1H3,(H2,24,27)
InChIKeyIILHKJMOCRTZPE-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.85
Rot. Bonds6

About 2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide

2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide (PubChem CID 90680810) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide
PubChem CID90680810
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(COc3ncccc3C(N)=O)nc2)c(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O3/c1-28-14-6-7-15(17(9-14)20(21,22)23)12-4-5-13(26-10-12)11-29-19-16(18(24)27)3-2-8-25-19/h2-10H,11H2,1H3,(H2,24,27)
InChIKeyIILHKJMOCRTZPE-UHFFFAOYSA-N
XLogP3.85
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide (CID 90680810) is 2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide is COc1ccc(-c2ccc(COc3ncccc3C(N)=O)nc2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide?
The InChIKey is IILHKJMOCRTZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-28-14-6-7-15(17(9-14)20(21,22)23)12-4-5-13(26-10-12)11-29-19-16(18(24)27)3-2-8-25-19/h2-10H,11H2,1H3,(H2,24,27).
What are the key properties of 2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide?
2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 90680810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).