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

C22H16F2N4O2S — CID 176858663

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

1-[(2,6-difluorophenyl)methyl]-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide (PubChem CID 176858663) has the molecular formula C22H16F2N4O2S and a molecular weight of 438.46 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,6-difluorophenyl)methyl]-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
• PubChem CID: 176858663
• Molecular Formula: C22H16F2N4O2S
• Molecular Weight: 438.46 g/mol
• Exact Mass: 438.10
• IUPAC Name: 1-[(2,6-difluorophenyl)methyl]-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
• SMILES: Cc1cccnc1-c1csc(NC(=O)c2ccn(Cc3c(F)cccc3F)c(=O)c2)n1
• InChI: InChI=1S/C22H16F2N4O2S/c1-13-4-3-8-25-20(13)18-12-31-22(26-18)27-21(30)14-7-9-28(19(29)10-14)11-15-16(23)5-2-6-17(15)24/h2-10,12H,11H2,1H3,(H,26,27,30)
• InChIKey: DOXWYXPMQUJFKU-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.46
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide (CID 176858663) is 1-[(2,6-difluorophenyl)methyl]-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide.

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

The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide is Cc1cccnc1-c1csc(NC(=O)c2ccn(Cc3c(F)cccc3F)c(=O)c2)n1.

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

The InChIKey is DOXWYXPMQUJFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2S/c1-13-4-3-8-25-20(13)18-12-31-22(26-18)27-21(30)14-7-9-28(19(29)10-14)11-15-16(23)5-2-6-17(15)24/h2-10,12H,11H2,1H3,(H,26,27,30).

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

1-[(2,6-difluorophenyl)methyl]-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,6-difluorophenyl)methyl]-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 176858663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).