6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

C26H41N9O3S — CID 143378881

About 6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide (PubChem CID 143378881) has the molecular formula C26H41N9O3S and a molecular weight of 559.74 g/mol. Its IUPAC name is 6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
• PubChem CID: 143378881
• Molecular Formula: C26H41N9O3S
• Molecular Weight: 559.74 g/mol
• Exact Mass: 559.31
• IUPAC Name: 6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
• SMILES: CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(C)(N)/N=N\N)nc2C)CC1
• InChI: InChI=1S/C26H41N9O3S/c1-17-14-22(26(4,27)32-33-28)30-19(3)23(17)24(36)29-10-6-18(2)34-11-7-21(8-12-34)35(25(37)31-38-5)15-20-9-13-39-16-20/h9,13-14,16,18,21H,6-8,10-12,15,27H2,1-5H3,(H2,28,32)(H,29,36)(H,31,37)/t18-,26?/m1/s1
• InChIKey: RTEHWCKINFECBH-QOBPCVTDSA-N
• XLogP: 2.96
• TPSA: 163.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.74
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?

The IUPAC name of 6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide (CID 143378881) is 6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide.

What is the SMILES notation for 6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?

The canonical SMILES for 6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide is CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(C)(N)/N=N\N)nc2C)CC1.

What is the InChIKey of 6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?

The InChIKey is RTEHWCKINFECBH-QOBPCVTDSA-N. The full InChI is InChI=1S/C26H41N9O3S/c1-17-14-22(26(4,27)32-33-28)30-19(3)23(17)24(36)29-10-6-18(2)34-11-7-21(8-12-34)35(25(37)31-38-5)15-20-9-13-39-16-20/h9,13-14,16,18,21H,6-8,10-12,15,27H2,1-5H3,(H2,28,32)(H,29,36)(H,31,37)/t18-,26?/m1/s1.

What are the key properties of 6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?

6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide has a molecular weight of 559.74 g/mol, XLogP of 2.96, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-amino-1-[(Z)-aminodiazenyl]ethyl]-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 143378881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).