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

C22H26ClN7O5S — CID 10098666

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-morpholin-4-yl-3-oxopropyl]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-morpholin-4-yl-3-oxopropyl]oxamide (PubChem CID 10098666) has the molecular formula C22H26ClN7O5S and a molecular weight of 536.01 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-morpholin-4-yl-3-oxopropyl]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-morpholin-4-yl-3-oxopropyl]oxamide
• PubChem CID: 10098666
• Molecular Formula: C22H26ClN7O5S
• Molecular Weight: 536.01 g/mol
• Exact Mass: 535.14
• 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-morpholin-4-yl-3-oxopropyl]oxamide
• SMILES: CN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)N3CCOCC3)sc2C1
• InChI: InChI=1S/C22H26ClN7O5S/c1-29-5-4-14-16(12-29)36-21(27-14)20(33)26-15(22(34)30-6-8-35-9-7-30)11-25-18(31)19(32)28-17-3-2-13(23)10-24-17/h2-3,10,15H,4-9,11-12H2,1H3,(H,25,31)(H,26,33)(H,24,28,32)
• InChIKey: XJIBMUOGWGFSQJ-UHFFFAOYSA-N
• XLogP: -0.11
• TPSA: 145.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.01
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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-morpholin-4-yl-3-oxopropyl]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-morpholin-4-yl-3-oxopropyl]oxamide (CID 10098666) 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-morpholin-4-yl-3-oxopropyl]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-morpholin-4-yl-3-oxopropyl]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-morpholin-4-yl-3-oxopropyl]oxamide is CN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)N3CCOCC3)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-morpholin-4-yl-3-oxopropyl]oxamide?

The InChIKey is XJIBMUOGWGFSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN7O5S/c1-29-5-4-14-16(12-29)36-21(27-14)20(33)26-15(22(34)30-6-8-35-9-7-30)11-25-18(31)19(32)28-17-3-2-13(23)10-24-17/h2-3,10,15H,4-9,11-12H2,1H3,(H,25,31)(H,26,33)(H,24,28,32).

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-morpholin-4-yl-3-oxopropyl]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-morpholin-4-yl-3-oxopropyl]oxamide has a molecular weight of 536.01 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 9 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-morpholin-4-yl-3-oxopropyl]oxamide is sourced from PubChem (CID 10098666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).