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

C25H34ClN7O4S — CID 123688519

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

N'-(5-chloro-2-pyridinyl)-N-[4-[dimethylamino(methoxy)methyl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide (PubChem CID 123688519) has the molecular formula C25H34ClN7O4S and a molecular weight of 564.11 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[4-[dimethylamino(methoxy)methyl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide.

Molecular Properties

• Compound Name: N'-(5-chloro-2-pyridinyl)-N-[4-[dimethylamino(methoxy)methyl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
• PubChem CID: 123688519
• Molecular Formula: C25H34ClN7O4S
• Molecular Weight: 564.11 g/mol
• Exact Mass: 563.21
• IUPAC Name: N'-(5-chloro-2-pyridinyl)-N-[4-[dimethylamino(methoxy)methyl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
• SMILES: COC(C1CCC(NC(=O)C(=O)Nc2ccc(Cl)cn2)C(NC(=O)c2nc3c(s2)CN(C)CC3)C1)N(C)C
• InChI: InChI=1S/C25H34ClN7O4S/c1-32(2)25(37-4)14-5-7-16(28-21(34)22(35)31-20-8-6-15(26)12-27-20)18(11-14)29-23(36)24-30-17-9-10-33(3)13-19(17)38-24/h6,8,12,14,16,18,25H,5,7,9-11,13H2,1-4H3,(H,28,34)(H,29,36)(H,27,31,35)
• InChIKey: BDCACBAHHBAZAW-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 128.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.11
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[4-[dimethylamino(methoxy)methyl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide (CID 123688519) is N'-(5-chloro-2-pyridinyl)-N-[4-[dimethylamino(methoxy)methyl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide.

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

The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[4-[dimethylamino(methoxy)methyl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide is COC(C1CCC(NC(=O)C(=O)Nc2ccc(Cl)cn2)C(NC(=O)c2nc3c(s2)CN(C)CC3)C1)N(C)C.

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

The InChIKey is BDCACBAHHBAZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN7O4S/c1-32(2)25(37-4)14-5-7-16(28-21(34)22(35)31-20-8-6-15(26)12-27-20)18(11-14)29-23(36)24-30-17-9-10-33(3)13-19(17)38-24/h6,8,12,14,16,18,25H,5,7,9-11,13H2,1-4H3,(H,28,34)(H,29,36)(H,27,31,35).

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

N'-(5-chloro-2-pyridinyl)-N-[4-[dimethylamino(methoxy)methyl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide has a molecular weight of 564.11 g/mol, XLogP of 1.74, 7 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-[4-[dimethylamino(methoxy)methyl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide is sourced from PubChem (CID 123688519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).