2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide

C16H17ClN2O2 — CID 106954276

IUPAC2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C)c(O)cc2C)cc(Cl)n1
InChIInChI=1S/C16H17ClN2O2/c1-4-12-7-11(8-15(17)18-12)16(21)19-13-5-10(3)14(20)6-9(13)2/h5-8,20H,4H2,1-3H3,(H,19,21)
InChIKeyQXTMPOHAFLVSSN-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.87
Rot. Bonds3

About 2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide

2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide (PubChem CID 106954276) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide
PubChem CID106954276
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C)c(O)cc2C)cc(Cl)n1
InChIInChI=1S/C16H17ClN2O2/c1-4-12-7-11(8-15(17)18-12)16(21)19-13-5-10(3)14(20)6-9(13)2/h5-8,20H,4H2,1-3H3,(H,19,21)
InChIKeyQXTMPOHAFLVSSN-UHFFFAOYSA-N
XLogP3.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide
CID 106834998
N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 107582987
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethylpyridine-4-carboxamide
CID 107573376
2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide
CID 107701218
5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 106834615
2-chloro-6-ethyl-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 114912055
2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 114174171
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide
CID 107856458
2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
CID 116786621
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dinitrobenzamide
CID 5120754

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide (CID 106954276) is 2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide is CCc1cc(C(=O)Nc2cc(C)c(O)cc2C)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide?
The InChIKey is QXTMPOHAFLVSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-4-12-7-11(8-15(17)18-12)16(21)19-13-5-10(3)14(20)6-9(13)2/h5-8,20H,4H2,1-3H3,(H,19,21).
What are the key properties of 2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide?
2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 106954276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).