5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide

C22H29ClN2O2 — CID 21289438

IUPAC5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCCCn1c(C)c(Cl)c(=O)c(C(=O)Nc2c(C)cccc2C)c1C
InChIInChI=1S/C22H29ClN2O2/c1-6-7-8-9-13-25-16(4)18(21(26)19(23)17(25)5)22(27)24-20-14(2)11-10-12-15(20)3/h10-12H,6-9,13H2,1-5H3,(H,24,27)
InChIKeyWTCGUZVAKWAPIB-UHFFFAOYSA-N
MW388.94 g/mol
LogP5.57
Rot. Bonds7

About 5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide

5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 21289438) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID21289438
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCCCn1c(C)c(Cl)c(=O)c(C(=O)Nc2c(C)cccc2C)c1C
InChIInChI=1S/C22H29ClN2O2/c1-6-7-8-9-13-25-16(4)18(21(26)19(23)17(25)5)22(27)24-20-14(2)11-10-12-15(20)3/h10-12H,6-9,13H2,1-5H3,(H,24,27)
InChIKeyWTCGUZVAKWAPIB-UHFFFAOYSA-N
XLogP5.57
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.94
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide
CID 21289349
6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040137
N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide
CID 23037899
1-butyl-6-ethyl-N-(2-ethyl-6-methylphenyl)-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040834
N-(2-ethyl-6-methylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 14156125
1-butyl-5,6-diethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide
CID 23040511
N-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide
CID 23037880
5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide
CID 21289355
1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289337
5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289457
5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289430
5-bromo-N-(2-ethyl-6-methylphenyl)-1-(2-ethylsulfanylethyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289454

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide (CID 21289438) is 5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide is CCCCCCn1c(C)c(Cl)c(=O)c(C(=O)Nc2c(C)cccc2C)c1C.
What is the InChIKey of 5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is WTCGUZVAKWAPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c1-6-7-8-9-13-25-16(4)18(21(26)19(23)17(25)5)22(27)24-20-14(2)11-10-12-15(20)3/h10-12H,6-9,13H2,1-5H3,(H,24,27).
What are the key properties of 5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide?
5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 388.94 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 21289438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).