N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide

C22H21N3O2 — CID 109162858

IUPACN-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
SMILESCCc1ccc(Nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cn2)cc1
InChIInChI=1S/C22H21N3O2/c1-3-16-7-10-19(11-8-16)24-21-12-9-18(14-23-21)22(27)25-20-6-4-5-17(13-20)15(2)26/h4-14H,3H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyZGNDANMQMZEJMT-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.84
Rot. Bonds6

About N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide

N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide (PubChem CID 109162858) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
PubChem CID109162858
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
SMILESCCc1ccc(Nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cn2)cc1
InChIInChI=1S/C22H21N3O2/c1-3-16-7-10-19(11-8-16)24-21-12-9-18(14-23-21)22(27)25-20-6-4-5-17(13-20)15(2)26/h4-14H,3H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyZGNDANMQMZEJMT-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

N-(3,4-difluorophenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162873
6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447
methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162269
6-(4-acetamidoanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109164557
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109164458
6-anilino-N-(3-bromophenyl)pyridine-3-carboxamide
CID 109162087
6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162705
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
6-(ethylamino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 62166937

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide (CID 109162858) is N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide is CCc1ccc(Nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cn2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide?
The InChIKey is ZGNDANMQMZEJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-3-16-7-10-19(11-8-16)24-21-12-9-18(14-23-21)22(27)25-20-6-4-5-17(13-20)15(2)26/h4-14H,3H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide?
N-(3-acetylphenyl)-6-(4-ethylanilino)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 N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109162858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).