1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide

C20H20FN5O4 — CID 92635555

IUPAC1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1nonc1CN(C)C(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C20H20FN5O4/c1-13-17(24-30-23-13)11-25(2)20(29)15-5-8-19(28)26(10-15)12-18(27)22-9-14-3-6-16(21)7-4-14/h3-8,10H,9,11-12H2,1-2H3,(H,22,27)
InChIKeyMKLVGWFRXLMUJC-UHFFFAOYSA-N
MW413.41 g/mol
LogP1.27
Rot. Bonds7

About 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide

1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 92635555) has the molecular formula C20H20FN5O4 and a molecular weight of 413.41 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID92635555
Molecular FormulaC20H20FN5O4
Molecular Weight413.41 g/mol
Exact Mass413.15
IUPAC Name1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1nonc1CN(C)C(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C20H20FN5O4/c1-13-17(24-30-23-13)11-25(2)20(29)15-5-8-19(28)26(10-15)12-18(27)22-9-14-3-6-16(21)7-4-14/h3-8,10H,9,11-12H2,1-2H3,(H,22,27)
InChIKeyMKLVGWFRXLMUJC-UHFFFAOYSA-N
XLogP1.27
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide (CID 92635555) is 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide is Cc1nonc1CN(C)C(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is MKLVGWFRXLMUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O4/c1-13-17(24-30-23-13)11-25(2)20(29)15-5-8-19(28)26(10-15)12-18(27)22-9-14-3-6-16(21)7-4-14/h3-8,10H,9,11-12H2,1-2H3,(H,22,27).
What are the key properties of 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide?
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 413.41 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).