4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide

C23H30Br2N2O — CID 22152876

IUPAC4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide
SMILESCCCCCc1c(C)nc(C)c(C(=O)Nc2c(CC)cc(Br)cc2CC)c1Br
InChIInChI=1S/C23H30Br2N2O/c1-6-9-10-11-19-14(4)26-15(5)20(21(19)25)23(28)27-22-16(7-2)12-18(24)13-17(22)8-3/h12-13H,6-11H2,1-5H3,(H,27,28)
InChIKeyCRNCVESMWSOQTI-UHFFFAOYSA-N
MW510.31 g/mol
LogP7.33
Rot. Bonds8

About 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide

4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide (PubChem CID 22152876) has the molecular formula C23H30Br2N2O and a molecular weight of 510.31 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide
PubChem CID22152876
Molecular FormulaC23H30Br2N2O
Molecular Weight510.31 g/mol
Exact Mass508.07
IUPAC Name4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide
SMILESCCCCCc1c(C)nc(C)c(C(=O)Nc2c(CC)cc(Br)cc2CC)c1Br
InChIInChI=1S/C23H30Br2N2O/c1-6-9-10-11-19-14(4)26-15(5)20(21(19)25)23(28)27-22-16(7-2)12-18(24)13-17(22)8-3/h12-13H,6-11H2,1-5H3,(H,27,28)
InChIKeyCRNCVESMWSOQTI-UHFFFAOYSA-N
XLogP7.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.31
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide
CID 22153006
N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide
CID 22152871
4-bromo-5-[(E)-but-2-enyl]-N-(2,6-diethyl-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 22152888
N-(4-bromo-2,6-diethylphenyl)-4-butyl-2,6-bis(trifluoromethyl)pyridine-3-carboxamide
CID 139650584
N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide
CID 54478269
N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide
CID 23040615
(4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 158343850
N-(4-bromo-2,6-diethylphenyl)-4-butyl-3-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 100801762
N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide
CID 100801731
4-bromo-N-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-1-oxido-5-prop-2-enylpyridin-1-ium-3-carboxamide
CID 22152959
2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 23040444
N-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide
CID 23040350

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide?
The IUPAC name of 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide (CID 22152876) is 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide is CCCCCc1c(C)nc(C)c(C(=O)Nc2c(CC)cc(Br)cc2CC)c1Br.
What is the InChIKey of 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide?
The InChIKey is CRNCVESMWSOQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Br2N2O/c1-6-9-10-11-19-14(4)26-15(5)20(21(19)25)23(28)27-22-16(7-2)12-18(24)13-17(22)8-3/h12-13H,6-11H2,1-5H3,(H,27,28).
What are the key properties of 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide?
4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide has a molecular weight of 510.31 g/mol, XLogP of 7.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide is sourced from PubChem (CID 22152876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).