N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide

C21H22N4O3S — CID 53171335

About N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide

N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide (PubChem CID 53171335) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide
• PubChem CID: 53171335
• Molecular Formula: C21H22N4O3S
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.14
• IUPAC Name: N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide
• SMILES: CC1=C(c2ccccc2)S(=O)(=O)N=C1N1CCC(NC(=O)c2ccncc2)CC1
• InChI: InChI=1S/C21H22N4O3S/c1-15-19(16-5-3-2-4-6-16)29(27,28)24-20(15)25-13-9-18(10-14-25)23-21(26)17-7-11-22-12-8-17/h2-8,11-12,18H,9-10,13-14H2,1H3,(H,23,26)
• InChIKey: ZFJSZYZXSJWKTA-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 91.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide?

The IUPAC name of N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide (CID 53171335) is N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide is CC1=C(c2ccccc2)S(=O)(=O)N=C1N1CCC(NC(=O)c2ccncc2)CC1.

What is the InChIKey of N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide?

The InChIKey is ZFJSZYZXSJWKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-15-19(16-5-3-2-4-6-16)29(27,28)24-20(15)25-13-9-18(10-14-25)23-21(26)17-7-11-22-12-8-17/h2-8,11-12,18H,9-10,13-14H2,1H3,(H,23,26).

What are the key properties of N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide?

N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 53171335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).