N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide

C22H20FN3O3 — CID 110383054

IUPACN-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)c1
InChIInChI=1S/C22H20FN3O3/c1-14-6-8-19(24-15(2)27)11-20(14)25-22(29)17-7-9-21(28)26(13-17)12-16-4-3-5-18(23)10-16/h3-11,13H,12H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyAYJIOPUOFDSEFM-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.55
Rot. Bonds5

About N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide

N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 110383054) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID110383054
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)c1
InChIInChI=1S/C22H20FN3O3/c1-14-6-8-19(24-15(2)27)11-20(14)25-22(29)17-7-9-21(28)26(13-17)12-16-4-3-5-18(23)10-16/h3-11,13H,12H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyAYJIOPUOFDSEFM-UHFFFAOYSA-N
XLogP3.55
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671048
1-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671064
1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8671106
ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate
CID 110382712
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697563
1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-6-oxopyridine-3-carboxamide
CID 8671117
1-[(3-fluorophenyl)methyl]-N-(2-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671056
N-(3-fluorophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697243
N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843841
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705
1-[(3-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-6-oxopyridine-3-carboxamide
CID 26844102
N-(3-chloro-4-fluorophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697484

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 110383054) is N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is AYJIOPUOFDSEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-14-6-8-19(24-15(2)27)11-20(14)25-22(29)17-7-9-21(28)26(13-17)12-16-4-3-5-18(23)10-16/h3-11,13H,12H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 110383054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).