N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide

C22H29BrN2O2 — CID 54478269

IUPACN-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)c1c(OCC(C)C)cc(C)nc1C
InChIInChI=1S/C22H29BrN2O2/c1-7-16-10-18(23)11-17(8-2)21(16)25-22(26)20-15(6)24-14(5)9-19(20)27-12-13(3)4/h9-11,13H,7-8,12H2,1-6H3,(H,25,26)
InChIKeyXNDIWMSCRCXHIC-UHFFFAOYSA-N
MW433.39 g/mol
LogP5.87
Rot. Bonds7

About N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide

N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide (PubChem CID 54478269) has the molecular formula C22H29BrN2O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide
PubChem CID54478269
Molecular FormulaC22H29BrN2O2
Molecular Weight433.39 g/mol
Exact Mass432.14
IUPAC NameN-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)c1c(OCC(C)C)cc(C)nc1C
InChIInChI=1S/C22H29BrN2O2/c1-7-16-10-18(23)11-17(8-2)21(16)25-22(26)20-15(6)24-14(5)9-19(20)27-12-13(3)4/h9-11,13H,7-8,12H2,1-6H3,(H,25,26)
InChIKeyXNDIWMSCRCXHIC-UHFFFAOYSA-N
XLogP5.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-pentylpyridine-3-carboxamide
CID 22152876
N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 57230580
(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-methoxy-3-methylbenzamide
CID 100801731
N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide
CID 57220881
3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78873454
4-cyclohexyl-N-(2,6-diethylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 14128595
3,5-dibromo-N-(2-methylpropoxy)benzamide
CID 103908515
N-(4-bromo-2,6-diethylphenyl)-4-butyl-2,6-bis(trifluoromethyl)pyridine-3-carboxamide
CID 139650584
4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 57308371

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide (CID 54478269) is N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide is CCc1cc(Br)cc(CC)c1NC(=O)c1c(OCC(C)C)cc(C)nc1C.
What is the InChIKey of N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide?
The InChIKey is XNDIWMSCRCXHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29BrN2O2/c1-7-16-10-18(23)11-17(8-2)21(16)25-22(26)20-15(6)24-14(5)9-19(20)27-12-13(3)4/h9-11,13H,7-8,12H2,1-6H3,(H,25,26).
What are the key properties of N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide?
N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 54478269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).