N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide

C18H22N2O2 — CID 86927149

IUPACN-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)c1ccc(C)cc1C
InChIInChI=1S/C18H22N2O2/c1-5-20(16-10-9-13(3)12-14(16)4)18(21)15-8-7-11-19-17(15)22-6-2/h7-12H,5-6H2,1-4H3
InChIKeyQUCAIVQJOZTMEQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.76
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide

N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide (PubChem CID 86927149) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide
PubChem CID86927149
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)c1ccc(C)cc1C
InChIInChI=1S/C18H22N2O2/c1-5-20(16-10-9-13(3)12-14(16)4)18(21)15-8-7-11-19-17(15)22-6-2/h7-12H,5-6H2,1-4H3
InChIKeyQUCAIVQJOZTMEQ-UHFFFAOYSA-N
XLogP3.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 4782988
2-ethoxy-N,N-dipropylpyridine-3-carboxamide
CID 78836443
N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide
CID 18193231
N-(2,4-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55592541
2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 131561562
2-ethoxy-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 134005816
2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide
CID 55592952
2-[2-(diethylamino)ethoxy]-N-ethyl-N-phenylpyridine-3-carboxamide
CID 150933832
2-ethoxy-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 7962641
2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614620
2-ethoxy-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 27859242
N-ethyl-N-(3-hydroxyphenyl)-2-methoxypyridine-3-carboxamide
CID 107736232

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide (CID 86927149) is N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide is CCOc1ncccc1C(=O)N(CC)c1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide?
The InChIKey is QUCAIVQJOZTMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-5-20(16-10-9-13(3)12-14(16)4)18(21)15-8-7-11-19-17(15)22-6-2/h7-12H,5-6H2,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide?
N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 86927149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).