1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide

C23H18F2N4O2S — CID 176859131

About 1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide (PubChem CID 176859131) has the molecular formula C23H18F2N4O2S and a molecular weight of 452.49 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
• PubChem CID: 176859131
• Molecular Formula: C23H18F2N4O2S
• Molecular Weight: 452.49 g/mol
• Exact Mass: 452.11
• IUPAC Name: 1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
• SMILES: Cc1cc(C)nc(-c2csc(NC(=O)c3ccn(Cc4ccc(F)c(F)c4)c(=O)c3)n2)c1
• InChI: InChI=1S/C23H18F2N4O2S/c1-13-7-14(2)26-19(8-13)20-12-32-23(27-20)28-22(31)16-5-6-29(21(30)10-16)11-15-3-4-17(24)18(25)9-15/h3-10,12H,11H2,1-2H3,(H,27,28,31)
• InChIKey: ANXJBNXLBVYSNH-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.49
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide?

The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide (CID 176859131) is 1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide.

What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide?

The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide is Cc1cc(C)nc(-c2csc(NC(=O)c3ccn(Cc4ccc(F)c(F)c4)c(=O)c3)n2)c1.

What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide?

The InChIKey is ANXJBNXLBVYSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2S/c1-13-7-14(2)26-19(8-13)20-12-32-23(27-20)28-22(31)16-5-6-29(21(30)10-16)11-15-3-4-17(24)18(25)9-15/h3-10,12H,11H2,1-2H3,(H,27,28,31).

What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide?

1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 176859131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).