disilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate)

C38H28Ag2F6N8O10S2 — CID 139145614

IUPACdisilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate)
SMILESO=C(Nc1ccccc1NC(=O)c1cccnc1)c1cccnc1.O=C(Nc1ccccc1NC(=O)c1cccnc1)c1cccnc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C18H14N4O2.2CHF3O3S.2Ag/c2*23-17(13-5-3-9-19-11-13)21-15-7-1-2-8-16(15)22-18(24)14-6-4-10-20-12-14;2*2-1(3,4)8(5,6)7;;/h2*1-12H,(H,21,23)(H,22,24);2*(H,5,6,7);;/q;;;;2*+1/p-2
InChIKeyRHLZNYFTWDFXBX-UHFFFAOYSA-L
MW1150.55 g/mol
LogP6.06
Rot. Bonds8

About disilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate)

disilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate) (PubChem CID 139145614) has the molecular formula C38H28Ag2F6N8O10S2 and a molecular weight of 1150.55 g/mol. Its IUPAC name is disilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate)
PubChem CID139145614
Molecular FormulaC38H28Ag2F6N8O10S2
Molecular Weight1150.55 g/mol
Exact Mass1147.94
IUPAC Namedisilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate)
SMILESO=C(Nc1ccccc1NC(=O)c1cccnc1)c1cccnc1.O=C(Nc1ccccc1NC(=O)c1cccnc1)c1cccnc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C18H14N4O2.2CHF3O3S.2Ag/c2*23-17(13-5-3-9-19-11-13)21-15-7-1-2-8-16(15)22-18(24)14-6-4-10-20-12-14;2*2-1(3,4)8(5,6)7;;/h2*1-12H,(H,21,23)(H,22,24);2*(H,5,6,7);;/q;;;;2*+1/p-2
InChIKeyRHLZNYFTWDFXBX-UHFFFAOYSA-L
XLogP6.06
TPSA282.36 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001150.55
LogP ≤ 56.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate) (CID 139145614) is disilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate) is O=C(Nc1ccccc1NC(=O)c1cccnc1)c1cccnc1.O=C(Nc1ccccc1NC(=O)c1cccnc1)c1cccnc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].
What is the InChIKey of disilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate)?
The InChIKey is RHLZNYFTWDFXBX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H14N4O2.2CHF3O3S.2Ag/c2*23-17(13-5-3-9-19-11-13)21-15-7-1-2-8-16(15)22-18(24)14-6-4-10-20-12-14;2*2-1(3,4)8(5,6)7;;/h2*1-12H,(H,21,23)(H,22,24);2*(H,5,6,7);;/q;;;;2*+1/p-2.
What are the key properties of disilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate)?
disilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate) has a molecular weight of 1150.55 g/mol, XLogP of 6.06, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139145614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).