cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate

C25H27CoN5O — CID 177277218

IUPACcobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate
SMILESCN(Cc1ccccn1)Cc1cccc(C(C)(c2ccccn2)c2ccccn2)n1.O.[Co]
InChIInChI=1S/C25H25N5.Co.H2O/c1-25(22-12-4-7-16-27-22,23-13-5-8-17-28-23)24-14-9-11-21(29-24)19-30(2)18-20-10-3-6-15-26-20;;/h3-17H,18-19H2,1-2H3;;1H2
InChIKeyDGDSXPYGBZMGEA-UHFFFAOYSA-N
MW472.46 g/mol
LogP3.43
Rot. Bonds7

About cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate

cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate (PubChem CID 177277218) has the molecular formula C25H27CoN5O and a molecular weight of 472.46 g/mol. Its IUPAC name is cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate.

Molecular Properties

Compound Namecobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate
PubChem CID177277218
Molecular FormulaC25H27CoN5O
Molecular Weight472.46 g/mol
Exact Mass472.15
IUPAC Namecobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate
SMILESCN(Cc1ccccn1)Cc1cccc(C(C)(c2ccccn2)c2ccccn2)n1.O.[Co]
InChIInChI=1S/C25H25N5.Co.H2O/c1-25(22-12-4-7-16-27-22,23-13-5-8-17-28-23)24-14-9-11-21(29-24)19-30(2)18-20-10-3-6-15-26-20;;/h3-17H,18-19H2,1-2H3;;1H2
InChIKeyDGDSXPYGBZMGEA-UHFFFAOYSA-N
XLogP3.43
TPSA86.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate 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

N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-(2,2-dimethylpropyl)-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 91090373
N-ethyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 79243794
1-[bis(pyridin-2-ylmethyl)amino]-3-[(6-tert-butyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-2-ol
CID 138529927
2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol
CID 91261751
1-N,2-N,2-trimethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 62846215
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62256476
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
CID 79360655
N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 148871584
N-methyl-1-naphthalen-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 171327866
[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248751

Frequently Asked Questions

What is the IUPAC name of cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate?
The IUPAC name of cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate (CID 177277218) is cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate.
What is the SMILES notation for cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate?
The canonical SMILES for cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate is CN(Cc1ccccn1)Cc1cccc(C(C)(c2ccccn2)c2ccccn2)n1.O.[Co].
What is the InChIKey of cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate?
The InChIKey is DGDSXPYGBZMGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5.Co.H2O/c1-25(22-12-4-7-16-27-22,23-13-5-8-17-28-23)24-14-9-11-21(29-24)19-30(2)18-20-10-3-6-15-26-20;;/h3-17H,18-19H2,1-2H3;;1H2.
What are the key properties of cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate?
cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate has a molecular weight of 472.46 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate is sourced from PubChem (CID 177277218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).