5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide

C20H15F3N2O3 — CID 122539641

IUPAC5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)ncc2OCc2cc(F)cc(F)c2)c(F)c1
InChIInChI=1S/C20H15F3N2O3/c1-27-14-2-3-15(17(23)7-14)16-8-18(20(24)26)25-9-19(16)28-10-11-4-12(21)6-13(22)5-11/h2-9H,10H2,1H3,(H2,24,26)
InChIKeyYTBOBHTYLRTWKU-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.85
Rot. Bonds6

About 5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide

5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 122539641) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide
PubChem CID122539641
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)ncc2OCc2cc(F)cc(F)c2)c(F)c1
InChIInChI=1S/C20H15F3N2O3/c1-27-14-2-3-15(17(23)7-14)16-8-18(20(24)26)25-9-19(16)28-10-11-4-12(21)6-13(22)5-11/h2-9H,10H2,1H3,(H2,24,26)
InChIKeyYTBOBHTYLRTWKU-UHFFFAOYSA-N
XLogP3.85
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide (CID 122539641) is 5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide is COc1ccc(-c2cc(C(N)=O)ncc2OCc2cc(F)cc(F)c2)c(F)c1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is YTBOBHTYLRTWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c1-27-14-2-3-15(17(23)7-14)16-8-18(20(24)26)25-9-19(16)28-10-11-4-12(21)6-13(22)5-11/h2-9H,10H2,1H3,(H2,24,26).
What are the key properties of 5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide?
5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methoxy]-4-(2-fluoro-4-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 122539641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).