2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide

C28H28FN5O4 — CID 18762447

IUPAC2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
SMILESCc1cccc(Cc2nnc(C(=O)C(NC(=O)Cn3c(-c4ccc(F)cc4)ccc(N)c3=O)C(C)C)o2)c1
InChIInChI=1S/C28H28FN5O4/c1-16(2)25(26(36)27-33-32-24(38-27)14-18-6-4-5-17(3)13-18)31-23(35)15-34-22(12-11-21(30)28(34)37)19-7-9-20(29)10-8-19/h4-13,16,25H,14-15,30H2,1-3H3,(H,31,35)
InChIKeyHNNWAPDFQJQKRQ-UHFFFAOYSA-N
MW517.56 g/mol
LogP3.54
Rot. Bonds9

About 2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide

2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide (PubChem CID 18762447) has the molecular formula C28H28FN5O4 and a molecular weight of 517.56 g/mol. Its IUPAC name is 2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
PubChem CID18762447
Molecular FormulaC28H28FN5O4
Molecular Weight517.56 g/mol
Exact Mass517.21
IUPAC Name2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
SMILESCc1cccc(Cc2nnc(C(=O)C(NC(=O)Cn3c(-c4ccc(F)cc4)ccc(N)c3=O)C(C)C)o2)c1
InChIInChI=1S/C28H28FN5O4/c1-16(2)25(26(36)27-33-32-24(38-27)14-18-6-4-5-17(3)13-18)31-23(35)15-34-22(12-11-21(30)28(34)37)19-7-9-20(29)10-8-19/h4-13,16,25H,14-15,30H2,1-3H3,(H,31,35)
InChIKeyHNNWAPDFQJQKRQ-UHFFFAOYSA-N
XLogP3.54
TPSA133.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.56
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide 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 2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
The IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide (CID 18762447) is 2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide is Cc1cccc(Cc2nnc(C(=O)C(NC(=O)Cn3c(-c4ccc(F)cc4)ccc(N)c3=O)C(C)C)o2)c1.
What is the InChIKey of 2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
The InChIKey is HNNWAPDFQJQKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O4/c1-16(2)25(26(36)27-33-32-24(38-27)14-18-6-4-5-17(3)13-18)31-23(35)15-34-22(12-11-21(30)28(34)37)19-7-9-20(29)10-8-19/h4-13,16,25H,14-15,30H2,1-3H3,(H,31,35).
What are the key properties of 2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide has a molecular weight of 517.56 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 18762447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).