copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate

C15H24ClCuN5O6 — CID 139137423

IUPACcopper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate
SMILESO=C([O-])c1cccc(CN2CCNCCNCCNCC2)n1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H25N5O2.ClHO4.Cu/c21-15(22)14-3-1-2-13(19-14)12-20-10-8-17-6-4-16-5-7-18-9-11-20;2-1(3,4)5;/h1-3,16-18H,4-12H2,(H,21,22);(H,2,3,4,5);/q;;+2/p-2
InChIKeyAGPOZIWAEVYMIA-UHFFFAOYSA-L
MW469.39 g/mol
LogP-6.73
Rot. Bonds3

About copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate

copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate (PubChem CID 139137423) has the molecular formula C15H24ClCuN5O6 and a molecular weight of 469.39 g/mol. Its IUPAC name is copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate.

Molecular Properties

Compound Namecopper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate
PubChem CID139137423
Molecular FormulaC15H24ClCuN5O6
Molecular Weight469.39 g/mol
Exact Mass468.07
IUPAC Namecopper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate
SMILESO=C([O-])c1cccc(CN2CCNCCNCCNCC2)n1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H25N5O2.ClHO4.Cu/c21-15(22)14-3-1-2-13(19-14)12-20-10-8-17-6-4-16-5-7-18-9-11-20;2-1(3,4)5;/h1-3,16-18H,4-12H2,(H,21,22);(H,2,3,4,5);/q;;+2/p-2
InChIKeyAGPOZIWAEVYMIA-UHFFFAOYSA-L
XLogP-6.73
TPSA184.59 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.39
LogP ≤ 5-6.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
dibromocobalt;1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine
CID 154596524
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 66911251
dicopper;bis([6-(hydroxymethyl)-2-pyridinyl]methanol);bis(pyridine-2,6-dicarboxylate);hydrate
CID 139144002
nickel(2+);4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoate;perchlorate
CID 71676773
ethane;1-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-1-one
CID 176942108
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
6-[[16-[[6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2-pyridinyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 164597861
6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904146
6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide
CID 106908998

Frequently Asked Questions

What is the IUPAC name of copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate?
The IUPAC name of copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate (CID 139137423) is copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate.
What is the SMILES notation for copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate?
The canonical SMILES for copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate is O=C([O-])c1cccc(CN2CCNCCNCCNCC2)n1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate?
The InChIKey is AGPOZIWAEVYMIA-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H25N5O2.ClHO4.Cu/c21-15(22)14-3-1-2-13(19-14)12-20-10-8-17-6-4-16-5-7-18-9-11-20;2-1(3,4)5;/h1-3,16-18H,4-12H2,(H,21,22);(H,2,3,4,5);/q;;+2/p-2.
What are the key properties of copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate?
copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate has a molecular weight of 469.39 g/mol, XLogP of -6.73, 3 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate is sourced from PubChem (CID 139137423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).