5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide

C22H23N3O2 — CID 109243188

IUPAC5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(Nc3c(C)cccc3C)c2)cc1
InChIInChI=1S/C22H23N3O2/c1-4-27-20-10-8-18(9-11-20)25-22(26)17-12-19(14-23-13-17)24-21-15(2)6-5-7-16(21)3/h5-14,24H,4H2,1-3H3,(H,25,26)
InChIKeyWDLLYRRMZWDBEW-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.09
Rot. Bonds6

About 5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide

5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109243188) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID109243188
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(Nc3c(C)cccc3C)c2)cc1
InChIInChI=1S/C22H23N3O2/c1-4-27-20-10-8-18(9-11-20)25-22(26)17-12-19(14-23-13-17)24-21-15(2)6-5-7-16(21)3/h5-14,24H,4H2,1-3H3,(H,25,26)
InChIKeyWDLLYRRMZWDBEW-UHFFFAOYSA-N
XLogP5.09
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243186
5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243191
5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109244991
5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245293
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006
5-(2,6-diethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243967
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109243207
5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108789
N-(2-ethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-3-carboxamide
CID 109243714
N-(5-chloro-2-methylphenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109244724

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide (CID 109243188) is 5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccc(NC(=O)c2cncc(Nc3c(C)cccc3C)c2)cc1.
What is the InChIKey of 5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is WDLLYRRMZWDBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-27-20-10-8-18(9-11-20)25-22(26)17-12-19(14-23-13-17)24-21-15(2)6-5-7-16(21)3/h5-14,24H,4H2,1-3H3,(H,25,26).
What are the key properties of 5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).