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

C22H22ClN3O2 — CID 109244991

IUPAC5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(Nc3c(C)cc(C)cc3Cl)c2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-4-28-19-7-5-17(6-8-19)26-22(27)16-11-18(13-24-12-16)25-21-15(3)9-14(2)10-20(21)23/h5-13,25H,4H2,1-3H3,(H,26,27)
InChIKeyFWCURZSTTQTROA-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.75
Rot. Bonds6

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

5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109244991) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID109244991
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(Nc3c(C)cc(C)cc3Cl)c2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-4-28-19-7-5-17(6-8-19)26-22(27)16-11-18(13-24-12-16)25-21-15(3)9-14(2)10-20(21)23/h5-13,25H,4H2,1-3H3,(H,26,27)
InChIKeyFWCURZSTTQTROA-UHFFFAOYSA-N
XLogP5.75
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109243188
5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109245025
5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245293
5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227747
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
N-(5-chloro-2-methylphenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109244724
5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224849
N-(2-chloro-4,6-dimethylphenyl)-5-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109244980
5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108789
5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234228
3-N-(4-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109108631
5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243186

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide (CID 109244991) is 5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccc(NC(=O)c2cncc(Nc3c(C)cc(C)cc3Cl)c2)cc1.
What is the InChIKey of 5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is FWCURZSTTQTROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-4-28-19-7-5-17(6-8-19)26-22(27)16-11-18(13-24-12-16)25-21-15(3)9-14(2)10-20(21)23/h5-13,25H,4H2,1-3H3,(H,26,27).
What are the key properties of 5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109244991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).