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

C22H23N3O — CID 109242952

IUPAC5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C22H23N3O/c1-4-17-7-5-6-8-21(17)25-22(26)18-12-20(14-23-13-18)24-19-10-9-15(2)16(3)11-19/h5-14,24H,4H2,1-3H3,(H,25,26)
InChIKeyAHTBHRSYMQOQDA-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.26
Rot. Bonds5

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

5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide (PubChem CID 109242952) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
PubChem CID109242952
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C22H23N3O/c1-4-17-7-5-6-8-21(17)25-22(26)18-12-20(14-23-13-18)24-19-10-9-15(2)16(3)11-19/h5-14,24H,4H2,1-3H3,(H,25,26)
InChIKeyAHTBHRSYMQOQDA-UHFFFAOYSA-N
XLogP5.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242839
5-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109242967
N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109242782
5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242892
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109242899
5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241836
N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242104
3-N-(3,4-dimethylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107846
N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225020
3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102007
N-(2-ethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109243373

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide (CID 109242952) is 5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide is CCc1ccccc1NC(=O)c1cncc(Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide?
The InChIKey is AHTBHRSYMQOQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-4-17-7-5-6-8-21(17)25-22(26)18-12-20(14-23-13-18)24-19-10-9-15(2)16(3)11-19/h5-14,24H,4H2,1-3H3,(H,25,26).
What are the key properties of 5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide?
5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109242952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).