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

C36H48N12O8Se4 — CID 139078780

IUPACbis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide)
SMILESCN(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
InChIInChI=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
InChIKeyGQYUNCDCRKJXHI-UHFFFAOYSA-N
MW1092.70 g/mol
LogP-5.29
Rot. Bonds14

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 Namebis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide)
PubChem CID139078780
Molecular FormulaC36H48N12O8Se4
Molecular Weight1092.70 g/mol
Exact Mass1096.04
IUPAC Namebis(2-[(3-carbamoyl-2-pyridinyl)diselanyl]pyridine-3-carboxamide);tetrakis(N,N-dimethylformamide)
SMILESCN(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
InChIInChI=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
InChIKeyGQYUNCDCRKJXHI-UHFFFAOYSA-N
XLogP-5.29
TPSA305.16 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001092.70
LogP ≤ 5-5.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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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).