cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide

C26H23Co2N5O2 — CID 59994750

IUPACcobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide
SMILESO=C(Nc1ccncc1)c1ccc(CNCc2ccc(C(=O)Nc3ccncc3)cc2)cc1.[Co].[Co]
InChIInChI=1S/C26H23N5O2.2Co/c32-25(30-23-9-13-27-14-10-23)21-5-1-19(2-6-21)17-29-18-20-3-7-22(8-4-20)26(33)31-24-11-15-28-16-12-24;;/h1-16,29H,17-18H2,(H,27,30,32)(H,28,31,33);;
InChIKeyRYPNWUBKEPKPKB-UHFFFAOYSA-N
MW555.37 g/mol
LogP4.27
Rot. Bonds8

About cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide

cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide (PubChem CID 59994750) has the molecular formula C26H23Co2N5O2 and a molecular weight of 555.37 g/mol. Its IUPAC name is cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide.

Molecular Properties

Compound Namecobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide
PubChem CID59994750
Molecular FormulaC26H23Co2N5O2
Molecular Weight555.37 g/mol
Exact Mass555.05
IUPAC Namecobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide
SMILESO=C(Nc1ccncc1)c1ccc(CNCc2ccc(C(=O)Nc3ccncc3)cc2)cc1.[Co].[Co]
InChIInChI=1S/C26H23N5O2.2Co/c32-25(30-23-9-13-27-14-10-23)21-5-1-19(2-6-21)17-29-18-20-3-7-22(8-4-20)26(33)31-24-11-15-28-16-12-24;;/h1-16,29H,17-18H2,(H,27,30,32)(H,28,31,33);;
InChIKeyRYPNWUBKEPKPKB-UHFFFAOYSA-N
XLogP4.27
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.37
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(ethylaminomethyl)phenyl]pyridine-4-carboxamide
CID 106910118
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 119864752
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 136528474
4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119864763
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119864759
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119

Frequently Asked Questions

What is the IUPAC name of cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide?
The IUPAC name of cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide (CID 59994750) is cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide.
What is the SMILES notation for cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide?
The canonical SMILES for cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide is O=C(Nc1ccncc1)c1ccc(CNCc2ccc(C(=O)Nc3ccncc3)cc2)cc1.[Co].[Co].
What is the InChIKey of cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide?
The InChIKey is RYPNWUBKEPKPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2.2Co/c32-25(30-23-9-13-27-14-10-23)21-5-1-19(2-6-21)17-29-18-20-3-7-22(8-4-20)26(33)31-24-11-15-28-16-12-24;;/h1-16,29H,17-18H2,(H,27,30,32)(H,28,31,33);;.
What are the key properties of cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide?
cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide has a molecular weight of 555.37 g/mol, XLogP of 4.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide is sourced from PubChem (CID 59994750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).