5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide

C21H27ClN2O2 — CID 21289349

IUPAC5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide
SMILESCCCn1c(C)c(Cl)c(=O)c(C(=O)Nc2c(CC)cccc2CC)c1C
InChIInChI=1S/C21H27ClN2O2/c1-6-12-24-13(4)17(20(25)18(22)14(24)5)21(26)23-19-15(7-2)10-9-11-16(19)8-3/h9-11H,6-8,12H2,1-5H3,(H,23,26)
InChIKeyWCDRLLMFTCJWQQ-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.91
Rot. Bonds6

About 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide

5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide (PubChem CID 21289349) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide
PubChem CID21289349
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide
SMILESCCCn1c(C)c(Cl)c(=O)c(C(=O)Nc2c(CC)cccc2CC)c1C
InChIInChI=1S/C21H27ClN2O2/c1-6-12-24-13(4)17(20(25)18(22)14(24)5)21(26)23-19-15(7-2)10-9-11-16(19)8-3/h9-11H,6-8,12H2,1-5H3,(H,23,26)
InChIKeyWCDRLLMFTCJWQQ-UHFFFAOYSA-N
XLogP4.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide
CID 21289355
5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289457
5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289438
N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide
CID 23037899
1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040375
1-butyl-6-ethyl-N-(2-ethyl-6-methylphenyl)-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040834
6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040137
1-butyl-5,6-diethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide
CID 23040511
5-bromo-N-(2-ethyl-6-methylphenyl)-1-(2-ethylsulfanylethyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289454
1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289330
N-(2-ethyl-6-methylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 14156125
5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 23040318

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide (CID 21289349) is 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide is CCCn1c(C)c(Cl)c(=O)c(C(=O)Nc2c(CC)cccc2CC)c1C.
What is the InChIKey of 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide?
The InChIKey is WCDRLLMFTCJWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-6-12-24-13(4)17(20(25)18(22)14(24)5)21(26)23-19-15(7-2)10-9-11-16(19)8-3/h9-11H,6-8,12H2,1-5H3,(H,23,26).
What are the key properties of 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide?
5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide has a molecular weight of 374.91 g/mol, XLogP of 4.91, 6 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-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide is sourced from PubChem (CID 21289349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).