4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one

C22H29N5O2S — CID 132778849

About 4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one

4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one (PubChem CID 132778849) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is 4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one
• PubChem CID: 132778849
• Molecular Formula: C22H29N5O2S
• Molecular Weight: 427.57 g/mol
• Exact Mass: 427.20
• IUPAC Name: 4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one
• SMILES: CCCN1CC(C(=O)N2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)CC1=O
• InChI: InChI=1S/C22H29N5O2S/c1-3-9-27-14-17(12-20(27)28)21(29)26-10-7-16(8-11-26)18-5-4-6-19(24-18)25-22-23-13-15(2)30-22/h4-6,13,16-17H,3,7-12,14H2,1-2H3,(H,23,24,25)
• InChIKey: KXPWQVJGVJXENP-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.57
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one?

The IUPAC name of 4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one (CID 132778849) is 4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one.

What is the SMILES notation for 4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one?

The canonical SMILES for 4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one is CCCN1CC(C(=O)N2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)CC1=O.

What is the InChIKey of 4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one?

The InChIKey is KXPWQVJGVJXENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c1-3-9-27-14-17(12-20(27)28)21(29)26-10-7-16(8-11-26)18-5-4-6-19(24-18)25-22-23-13-15(2)30-22/h4-6,13,16-17H,3,7-12,14H2,1-2H3,(H,23,24,25).

What are the key properties of 4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one?

4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one has a molecular weight of 427.57 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 132778849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).