1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide

C23H19FN4O2S — CID 176859492

About 1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide

1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide (PubChem CID 176859492) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide
• PubChem CID: 176859492
• Molecular Formula: C23H19FN4O2S
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.12
• IUPAC Name: 1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide
• SMILES: Cc1cc(C)cc(Cn2cc(C(=O)Nc3nc(-c4ccc(F)cn4)cs3)ccc2=O)c1
• InChI: InChI=1S/C23H19FN4O2S/c1-14-7-15(2)9-16(8-14)11-28-12-17(3-6-21(28)29)22(30)27-23-26-20(13-31-23)19-5-4-18(24)10-25-19/h3-10,12-13H,11H2,1-2H3,(H,26,27,30)
• InChIKey: IPGJVERMRTXQQH-UHFFFAOYSA-N
• XLogP: 4.42
• 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	434.50
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide?

The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide (CID 176859492) is 1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide is Cc1cc(C)cc(Cn2cc(C(=O)Nc3nc(-c4ccc(F)cn4)cs3)ccc2=O)c1.

What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide?

The InChIKey is IPGJVERMRTXQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S/c1-14-7-15(2)9-16(8-14)11-28-12-17(3-6-21(28)29)22(30)27-23-26-20(13-31-23)19-5-4-18(24)10-25-19/h3-10,12-13H,11H2,1-2H3,(H,26,27,30).

What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide?

1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 176859492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).