5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide

C21H21N3O — CID 109241837

IUPAC5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCCc1ccc(Nc2cncc(C(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C21H21N3O/c1-3-16-7-9-18(10-8-16)23-20-12-17(13-22-14-20)21(25)24-19-6-4-5-15(2)11-19/h4-14,23H,3H2,1-2H3,(H,24,25)
InChIKeyGJFHMEDGJSTETH-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.95
Rot. Bonds5

About 5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide

5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 109241837) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID109241837
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCCc1ccc(Nc2cncc(C(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C21H21N3O/c1-3-16-7-9-18(10-8-16)23-20-12-17(13-22-14-20)21(25)24-19-6-4-5-15(2)11-19/h4-14,23H,3H2,1-2H3,(H,24,25)
InChIKeyGJFHMEDGJSTETH-UHFFFAOYSA-N
XLogP4.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242019
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874
N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241841
5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241836
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243465
5-(3,5-dichloroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241902
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243485
N-(3-chloro-4-fluorophenyl)-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109243498
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
5-N-(4-ethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107992
N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241871

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide (CID 109241837) is 5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide is CCc1ccc(Nc2cncc(C(=O)Nc3cccc(C)c3)c2)cc1.
What is the InChIKey of 5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is GJFHMEDGJSTETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-16-7-9-18(10-8-16)23-20-12-17(13-22-14-20)21(25)24-19-6-4-5-15(2)11-19/h4-14,23H,3H2,1-2H3,(H,24,25).
What are the key properties of 5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109241837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).