6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide

C20H17FN2O3 — CID 86274753

IUPAC6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide
SMILESCOCc1cc(-c2cccc(C(N)=O)n2)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C20H17FN2O3/c1-25-12-14-11-13(17-3-2-4-18(23-17)20(22)24)5-10-19(14)26-16-8-6-15(21)7-9-16/h2-11H,12H2,1H3,(H2,22,24)
InChIKeyYCYYHMLQFAECNO-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.93
Rot. Bonds6

About 6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide

6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide (PubChem CID 86274753) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide
PubChem CID86274753
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide
SMILESCOCc1cc(-c2cccc(C(N)=O)n2)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C20H17FN2O3/c1-25-12-14-11-13(17-3-2-4-18(23-17)20(22)24)5-10-19(14)26-16-8-6-15(21)7-9-16/h2-11H,12H2,1H3,(H2,22,24)
InChIKeyYCYYHMLQFAECNO-UHFFFAOYSA-N
XLogP3.93
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide (CID 86274753) is 6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide is COCc1cc(-c2cccc(C(N)=O)n2)ccc1Oc1ccc(F)cc1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is YCYYHMLQFAECNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-25-12-14-11-13(17-3-2-4-18(23-17)20(22)24)5-10-19(14)26-16-8-6-15(21)7-9-16/h2-11H,12H2,1H3,(H2,22,24).
What are the key properties of 6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide?
6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)-3-(methoxymethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 86274753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).