3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide

C19H23N5O3S — CID 4989358

About 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide

3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide (PubChem CID 4989358) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide
• PubChem CID: 4989358
• Molecular Formula: C19H23N5O3S
• Molecular Weight: 401.49 g/mol
• Exact Mass: 401.15
• IUPAC Name: 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide
• SMILES: CC(C)CC(=O)NCC(=O)N1CCCN1C(=O)c1csc(-c2cccnc2)n1
• InChI: InChI=1S/C19H23N5O3S/c1-13(2)9-16(25)21-11-17(26)23-7-4-8-24(23)19(27)15-12-28-18(22-15)14-5-3-6-20-10-14/h3,5-6,10,12-13H,4,7-9,11H2,1-2H3,(H,21,25)
• InChIKey: PLKKAKZOKACERN-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.49
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide?

The IUPAC name of 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide (CID 4989358) is 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide.

What is the SMILES notation for 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide?

The canonical SMILES for 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide is CC(C)CC(=O)NCC(=O)N1CCCN1C(=O)c1csc(-c2cccnc2)n1.

What is the InChIKey of 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide?

The InChIKey is PLKKAKZOKACERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-13(2)9-16(25)21-11-17(26)23-7-4-8-24(23)19(27)15-12-28-18(22-15)14-5-3-6-20-10-14/h3,5-6,10,12-13H,4,7-9,11H2,1-2H3,(H,21,25).

What are the key properties of 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide?

3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide has a molecular weight of 401.49 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide is sourced from PubChem (CID 4989358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).