N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide

C20H24BrIN2O — CID 22152871

IUPACN-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)c1c(C)nc(C)c(CC)c1I
InChIInChI=1S/C20H24BrIN2O/c1-6-13-9-15(21)10-14(7-2)19(13)24-20(25)17-12(5)23-11(4)16(8-3)18(17)22/h9-10H,6-8H2,1-5H3,(H,24,25)
InChIKeyAVKGSWXBBSUJDJ-UHFFFAOYSA-N
MW515.23 g/mol
LogP6.01
Rot. Bonds5

About N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide

N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide (PubChem CID 22152871) has the molecular formula C20H24BrIN2O and a molecular weight of 515.23 g/mol. Its IUPAC name is N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide
PubChem CID22152871
Molecular FormulaC20H24BrIN2O
Molecular Weight515.23 g/mol
Exact Mass514.01
IUPAC NameN-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)c1c(C)nc(C)c(CC)c1I
InChIInChI=1S/C20H24BrIN2O/c1-6-13-9-15(21)10-14(7-2)19(13)24-20(25)17-12(5)23-11(4)16(8-3)18(17)22/h9-10H,6-8H2,1-5H3,(H,24,25)
InChIKeyAVKGSWXBBSUJDJ-UHFFFAOYSA-N
XLogP6.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.23
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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
4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide
CID 22152876
N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide
CID 54478269
4-bromo-5-[(E)-but-2-enyl]-N-(2,6-diethyl-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 22152888
(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-2,6-bis(trifluoromethyl)pyridine-3-carboxamide
CID 139650584
N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide
CID 100801731
N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide
CID 23040615
N-(2,6-diethyl-4-fluorophenyl)-4-iodo-2,6-dimethyl-1-oxido-5-prop-2-ynylpyridin-1-ium-3-carboxamide
CID 22152869
N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857760
N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide
CID 50880485
N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide
CID 100801729

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide (CID 22152871) is N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide is CCc1cc(Br)cc(CC)c1NC(=O)c1c(C)nc(C)c(CC)c1I.
What is the InChIKey of N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is AVKGSWXBBSUJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrIN2O/c1-6-13-9-15(21)10-14(7-2)19(13)24-20(25)17-12(5)23-11(4)16(8-3)18(17)22/h9-10H,6-8H2,1-5H3,(H,24,25).
What are the key properties of N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide?
N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 515.23 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 22152871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).