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

C21H23ClN2O2 — CID 21289355

IUPAC5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCn1c(C)c(Cl)c(=O)c(C(=O)Nc2c(CC)cccc2CC)c1C
InChIInChI=1S/C21H23ClN2O2/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/h1,9-11H,7-8,12H2,2-5H3,(H,23,26)
InChIKeyYPGFXLGSPDUXPV-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.13
Rot. Bonds5

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

5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide (PubChem CID 21289355) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide
PubChem CID21289355
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCn1c(C)c(Cl)c(=O)c(C(=O)Nc2c(CC)cccc2CC)c1C
InChIInChI=1S/C21H23ClN2O2/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/h1,9-11H,7-8,12H2,2-5H3,(H,23,26)
InChIKeyYPGFXLGSPDUXPV-UHFFFAOYSA-N
XLogP4.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', '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
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-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289330
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
2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 63659820
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-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide (CID 21289355) is 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide is C#CCn1c(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-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is YPGFXLGSPDUXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/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/h1,9-11H,7-8,12H2,2-5H3,(H,23,26).
What are the key properties of 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide?
5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.13, 5 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-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 21289355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).