1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide

C23H19F2N5O4S — CID 175679690

About 1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide

1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide (PubChem CID 175679690) has the molecular formula C23H19F2N5O4S and a molecular weight of 499.50 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide
• PubChem CID: 175679690
• Molecular Formula: C23H19F2N5O4S
• Molecular Weight: 499.50 g/mol
• Exact Mass: 499.11
• IUPAC Name: 1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide
• SMILES: COc1ccc(C(F)F)cc1-c1cn(CC(N)=O)c(=O)cc1C(=O)Nc1nnc(C#CC2CC2)s1
• InChI: InChI=1S/C23H19F2N5O4S/c1-34-17-6-5-13(21(24)25)8-14(17)16-10-30(11-18(26)31)20(32)9-15(16)22(33)27-23-29-28-19(35-23)7-4-12-2-3-12/h5-6,8-10,12,21H,2-3,11H2,1H3,(H2,26,31)(H,27,29,33)
• InChIKey: NLFSRDXTVLLSMZ-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 129.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.50
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide?

The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide (CID 175679690) is 1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide.

What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide?

The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide is COc1ccc(C(F)F)cc1-c1cn(CC(N)=O)c(=O)cc1C(=O)Nc1nnc(C#CC2CC2)s1.

What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide?

The InChIKey is NLFSRDXTVLLSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O4S/c1-34-17-6-5-13(21(24)25)8-14(17)16-10-30(11-18(26)31)20(32)9-15(16)22(33)27-23-29-28-19(35-23)7-4-12-2-3-12/h5-6,8-10,12,21H,2-3,11H2,1H3,(H2,26,31)(H,27,29,33).

What are the key properties of 1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide?

1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide has a molecular weight of 499.50 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-2-oxoethyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-5-[5-(difluoromethyl)-2-methoxyphenyl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 175679690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).