bis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane

C37H42N14O6Pt — CID 159647234

IUPACbis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane
SMILESCC(=O)NCC(=O)NCC(=O)Nc1ccc2nnc(-c3ccccn3)n2c1.CC(=O)NCC(=O)NCC(=O)Nc1ccc2nnc(-c3ccccn3)n2c1.CCC.[Pt]
InChIInChI=1S/2C17H17N7O3.C3H8.Pt/c2*1-11(25)19-8-15(26)20-9-16(27)21-12-5-6-14-22-23-17(24(14)10-12)13-4-2-3-7-18-13;1-3-2;/h2*2-7,10H,8-9H2,1H3,(H,19,25)(H,20,26)(H,21,27);3H2,1-2H3;
InChIKeyMRCNUJBGGUEVLC-UHFFFAOYSA-N
MW973.91 g/mol
LogP1.38
Rot. Bonds12

About bis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane

bis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane (PubChem CID 159647234) has the molecular formula C37H42N14O6Pt and a molecular weight of 973.91 g/mol. Its IUPAC name is bis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane.

Molecular Properties

Compound Namebis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane
PubChem CID159647234
Molecular FormulaC37H42N14O6Pt
Molecular Weight973.91 g/mol
Exact Mass973.31
IUPAC Namebis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane
SMILESCC(=O)NCC(=O)NCC(=O)Nc1ccc2nnc(-c3ccccn3)n2c1.CC(=O)NCC(=O)NCC(=O)Nc1ccc2nnc(-c3ccccn3)n2c1.CCC.[Pt]
InChIInChI=1S/2C17H17N7O3.C3H8.Pt/c2*1-11(25)19-8-15(26)20-9-16(27)21-12-5-6-14-22-23-17(24(14)10-12)13-4-2-3-7-18-13;1-3-2;/h2*2-7,10H,8-9H2,1H3,(H,19,25)(H,20,26)(H,21,27);3H2,1-2H3;
InChIKeyMRCNUJBGGUEVLC-UHFFFAOYSA-N
XLogP1.38
TPSA260.76 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500973.91
LogP ≤ 51.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of bis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane?
The IUPAC name of bis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane (CID 159647234) is bis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane.
What is the SMILES notation for bis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane?
The canonical SMILES for bis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane is CC(=O)NCC(=O)NCC(=O)Nc1ccc2nnc(-c3ccccn3)n2c1.CC(=O)NCC(=O)NCC(=O)Nc1ccc2nnc(-c3ccccn3)n2c1.CCC.[Pt].
What is the InChIKey of bis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane?
The InChIKey is MRCNUJBGGUEVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H17N7O3.C3H8.Pt/c2*1-11(25)19-8-15(26)20-9-16(27)21-12-5-6-14-22-23-17(24(14)10-12)13-4-2-3-7-18-13;1-3-2;/h2*2-7,10H,8-9H2,1H3,(H,19,25)(H,20,26)(H,21,27);3H2,1-2H3;.
What are the key properties of bis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane?
bis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane has a molecular weight of 973.91 g/mol, XLogP of 1.38, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-acetamido-N-[2-oxo-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide);platinum;propane is sourced from PubChem (CID 159647234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).