N-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide

C21H18F2N2O2 — CID 58368114

IUPACN-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(OCc3cccc(F)c3)cc2C)c(F)c1
InChIInChI=1S/C21H18F2N2O2/c1-13-6-7-19(18(23)8-13)25-21(26)17-11-24-20(9-14(17)2)27-12-15-4-3-5-16(22)10-15/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyQOTDZVLRPBKSPA-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.81
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide

N-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide (PubChem CID 58368114) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide
PubChem CID58368114
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC NameN-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(OCc3cccc(F)c3)cc2C)c(F)c1
InChIInChI=1S/C21H18F2N2O2/c1-13-6-7-19(18(23)8-13)25-21(26)17-11-24-20(9-14(17)2)27-12-15-4-3-5-16(22)10-15/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyQOTDZVLRPBKSPA-UHFFFAOYSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide (CID 58368114) is N-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide is Cc1ccc(NC(=O)c2cnc(OCc3cccc(F)c3)cc2C)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide?
The InChIKey is QOTDZVLRPBKSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c1-13-6-7-19(18(23)8-13)25-21(26)17-11-24-20(9-14(17)2)27-12-15-4-3-5-16(22)10-15/h3-11H,12H2,1-2H3,(H,25,26).
What are the key properties of N-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide?
N-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide has a molecular weight of 368.38 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 58368114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).