bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide)

C36H48N12O8Se4 — CID 139078780

About bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide)

bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide) (PubChem CID 139078780) has the molecular formula C36H48N12O8Se4 and a molecular weight of 1092.70 g/mol. Its IUPAC name is bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide).

Molecular Properties

• Compound Name: bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide)
• PubChem CID: 139078780
• Molecular Formula: C36H48N12O8Se4
• Molecular Weight: 1092.70 g/mol
• Exact Mass: 1096.04
• IUPAC Name: bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide)
• SMILES: CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.NC(=O)c1cccnc1[Se][Se]c1ncccc1C(N)=O.NC(=O)c1cccnc1[Se][Se]c1ncccc1C(N)=O
• InChI: InChI=1S/2C12H10N4O2Se2.4C3H7NO/c2*13-9(17)7-3-1-5-15-11(7)19-20-12-8(10(14)18)4-2-6-16-12;4*1-4(2)3-5/h2*1-6H,(H2,13,17)(H2,14,18);4*3H,1-2H3
• InChIKey: GQYUNCDCRKJXHI-UHFFFAOYSA-N
• XLogP: -5.29
• TPSA: 305.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1092.70
LogP ≤ 5	-5.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide)?

The IUPAC name of bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide) (CID 139078780) is bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide).

What is the SMILES notation for bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide)?

The canonical SMILES for bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide) is CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.NC(=O)c1cccnc1[Se][Se]c1ncccc1C(N)=O.NC(=O)c1cccnc1[Se][Se]c1ncccc1C(N)=O.

What is the InChIKey of bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide)?

The InChIKey is GQYUNCDCRKJXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10N4O2Se2.4C3H7NO/c2*13-9(17)7-3-1-5-15-11(7)19-20-12-8(10(14)18)4-2-6-16-12;4*1-4(2)3-5/h2*1-6H,(H2,13,17)(H2,14,18);4*3H,1-2H3.

What are the key properties of bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide)?

bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide) has a molecular weight of 1092.70 g/mol, XLogP of -5.29, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide) is sourced from PubChem (CID 139078780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).