5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide

C22H21N3O2 — CID 109243465

IUPAC5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc(Nc3ccc(C(C)=O)cc3)c2)cc1
InChIInChI=1S/C22H21N3O2/c1-3-16-4-8-20(9-5-16)25-22(27)18-12-21(14-23-13-18)24-19-10-6-17(7-11-19)15(2)26/h4-14,24H,3H2,1-2H3,(H,25,27)
InChIKeyPHACYUZEURQXDX-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.84
Rot. Bonds6

About 5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide

5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide (PubChem CID 109243465) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
PubChem CID109243465
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc(Nc3ccc(C(C)=O)cc3)c2)cc1
InChIInChI=1S/C22H21N3O2/c1-3-16-4-8-20(9-5-16)25-22(27)18-12-21(14-23-13-18)24-19-10-6-17(7-11-19)15(2)26/h4-14,24H,3H2,1-2H3,(H,25,27)
InChIKeyPHACYUZEURQXDX-UHFFFAOYSA-N
XLogP4.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242019
5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241837
N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245760
N-(3-chloro-4-fluorophenyl)-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109243498
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243485
N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239442
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874
5-N-(4-ethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107992
N-(4-ethylphenyl)-5-hydroxypyridine-3-carboxamide
CID 55258455
5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243447
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide (CID 109243465) is 5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide is CCc1ccc(NC(=O)c2cncc(Nc3ccc(C(C)=O)cc3)c2)cc1.
What is the InChIKey of 5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The InChIKey is PHACYUZEURQXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-3-16-4-8-20(9-5-16)25-22(27)18-12-21(14-23-13-18)24-19-10-6-17(7-11-19)15(2)26/h4-14,24H,3H2,1-2H3,(H,25,27).
What are the key properties of 5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).