4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide

C20H15F4N3O3 — CID 122539671

IUPAC4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)ncc2OCc2ccc(C(F)(F)F)nc2)c(F)c1
InChIInChI=1S/C20H15F4N3O3/c1-29-12-3-4-13(15(21)6-12)14-7-16(19(25)28)26-9-17(14)30-10-11-2-5-18(27-8-11)20(22,23)24/h2-9H,10H2,1H3,(H2,25,28)
InChIKeyMUAJGGHCBZHJIS-UHFFFAOYSA-N
MW421.35 g/mol
LogP3.99
Rot. Bonds6

About 4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide

4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide (PubChem CID 122539671) has the molecular formula C20H15F4N3O3 and a molecular weight of 421.35 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide
PubChem CID122539671
Molecular FormulaC20H15F4N3O3
Molecular Weight421.35 g/mol
Exact Mass421.10
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)ncc2OCc2ccc(C(F)(F)F)nc2)c(F)c1
InChIInChI=1S/C20H15F4N3O3/c1-29-12-3-4-13(15(21)6-12)14-7-16(19(25)28)26-9-17(14)30-10-11-2-5-18(27-8-11)20(22,23)24/h2-9H,10H2,1H3,(H2,25,28)
InChIKeyMUAJGGHCBZHJIS-UHFFFAOYSA-N
XLogP3.99
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide (CID 122539671) is 4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide is COc1ccc(-c2cc(C(N)=O)ncc2OCc2ccc(C(F)(F)F)nc2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide?
The InChIKey is MUAJGGHCBZHJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O3/c1-29-12-3-4-13(15(21)6-12)14-7-16(19(25)28)26-9-17(14)30-10-11-2-5-18(27-8-11)20(22,23)24/h2-9H,10H2,1H3,(H2,25,28).
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide?
4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide has a molecular weight of 421.35 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 122539671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).