N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide

C23H28ClN7O4S — CID 10256580

About N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide

N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide (PubChem CID 10256580) has the molecular formula C23H28ClN7O4S and a molecular weight of 534.04 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide.

Molecular Properties

• Compound Name: N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide
• PubChem CID: 10256580
• Molecular Formula: C23H28ClN7O4S
• Molecular Weight: 534.04 g/mol
• Exact Mass: 533.16
• IUPAC Name: N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide
• SMILES: CN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)N3CCCCC3)sc2C1
• InChI: InChI=1S/C23H28ClN7O4S/c1-30-10-7-15-17(13-30)36-22(28-15)21(34)27-16(23(35)31-8-3-2-4-9-31)12-26-19(32)20(33)29-18-6-5-14(24)11-25-18/h5-6,11,16H,2-4,7-10,12-13H2,1H3,(H,26,32)(H,27,34)(H,25,29,33)
• InChIKey: IPYNCKOPWMKAFB-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 136.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.04
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide?

The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide (CID 10256580) is N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide.

What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide?

The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide is CN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)N3CCCCC3)sc2C1.

What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide?

The InChIKey is IPYNCKOPWMKAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN7O4S/c1-30-10-7-15-17(13-30)36-22(28-15)21(34)27-16(23(35)31-8-3-2-4-9-31)12-26-19(32)20(33)29-18-6-5-14(24)11-25-18/h5-6,11,16H,2-4,7-10,12-13H2,1H3,(H,26,32)(H,27,34)(H,25,29,33).

What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide?

N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide has a molecular weight of 534.04 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-piperidin-1-ylpropyl]oxamide is sourced from PubChem (CID 10256580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).