silver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate

C30H27AgClN5O10 — CID 139198328

IUPACsilver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate
SMILESCC#N.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.[Ag+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C14H12N2O3.C2H3N.Ag.ClHO4/c2*1-19-14(18)11-4-2-10(3-5-11)13(17)16-12-6-8-15-9-7-12;1-2-3;;2-1(3,4)5/h2*2-9H,1H3,(H,15,16,17);1H3;;(H,2,3,4,5)/q;;;+1;/p-1
InChIKeyPPHLEDKJRZPQNG-UHFFFAOYSA-M
MW760.89 g/mol
LogP0.01
Rot. Bonds6

About silver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate

silver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate (PubChem CID 139198328) has the molecular formula C30H27AgClN5O10 and a molecular weight of 760.89 g/mol. Its IUPAC name is silver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate.

Molecular Properties

Compound Namesilver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate
PubChem CID139198328
Molecular FormulaC30H27AgClN5O10
Molecular Weight760.89 g/mol
Exact Mass759.05
IUPAC Namesilver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate
SMILESCC#N.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.[Ag+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C14H12N2O3.C2H3N.Ag.ClHO4/c2*1-19-14(18)11-4-2-10(3-5-11)13(17)16-12-6-8-15-9-7-12;1-2-3;;2-1(3,4)5/h2*2-9H,1H3,(H,15,16,17);1H3;;(H,2,3,4,5)/q;;;+1;/p-1
InChIKeyPPHLEDKJRZPQNG-UHFFFAOYSA-M
XLogP0.01
TPSA252.61 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.89
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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Related Compounds

Sovesudil
CID 68245749
Methyl 4-[[3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]benzoyl]amino]benzoate
CID 71283262
Methyl 3-[({2'-(Aminomethyl)-5'-[(3-Fluoropyridin-4-Yl)carbamoyl]biphenyl-3-Yl}carbonyl)amino]-4-Fluorobenzoate
CID 71505859
Ethyl 3-[2-(aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 71115401
Methyl 4-[[3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate
CID 71282961
Methyl 3-[[3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate
CID 71506022
Methyl 3-[[3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]benzoyl]amino]benzoate
CID 71529762
Methyl 3-[[3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]phenyl]carbamoyl]-4-fluorobenzoate
CID 71506023
1-Benzyl-4-({[4-(methoxycarbonyl)phenyl]amino}carbonyl)pyridinium chloride
CID 2851263
Methyl 3-[2-(aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 53379585
Methyl 4-[2-(aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 53379691
Cyclopentylmethyl 3-[2-(aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 71115342

Frequently Asked Questions

What is the IUPAC name of silver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate?
The IUPAC name of silver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate (CID 139198328) is silver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate.
What is the SMILES notation for silver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate?
The canonical SMILES for silver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate is CC#N.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.[Ag+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of silver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate?
The InChIKey is PPHLEDKJRZPQNG-UHFFFAOYSA-M. The full InChI is InChI=1S/2C14H12N2O3.C2H3N.Ag.ClHO4/c2*1-19-14(18)11-4-2-10(3-5-11)13(17)16-12-6-8-15-9-7-12;1-2-3;;2-1(3,4)5/h2*2-9H,1H3,(H,15,16,17);1H3;;(H,2,3,4,5)/q;;;+1;/p-1.
What are the key properties of silver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate?
silver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate has a molecular weight of 760.89 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for silver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate is sourced from PubChem (CID 139198328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).