6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

C22H21N3O2 — CID 109162705

IUPAC6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)cn2)cc1
InChIInChI=1S/C22H21N3O2/c1-14-10-15(2)12-20(11-14)25-22(27)18-6-9-21(23-13-18)24-19-7-4-17(5-8-19)16(3)26/h4-13H,1-3H3,(H,23,24)(H,25,27)
InChIKeyHSOVHHXKAHSCAG-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.90
Rot. Bonds5

About 6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109162705) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109162705
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)cn2)cc1
InChIInChI=1S/C22H21N3O2/c1-14-10-15(2)12-20(11-14)25-22(27)18-6-9-21(23-13-18)24-19-7-4-17(5-8-19)16(3)26/h4-13H,1-3H3,(H,23,24)(H,25,27)
InChIKeyHSOVHHXKAHSCAG-UHFFFAOYSA-N
XLogP4.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[6-(3,5-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162688
N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109162684
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060
6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-(3-bromo-5-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 107578454
6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109162236
6-(4-acetylanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109164503
6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109162280
N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162858

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide (CID 109162705) is 6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide is CC(=O)c1ccc(Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)cn2)cc1.
What is the InChIKey of 6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is HSOVHHXKAHSCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-10-15(2)12-20(11-14)25-22(27)18-6-9-21(23-13-18)24-19-7-4-17(5-8-19)16(3)26/h4-13H,1-3H3,(H,23,24)(H,25,27).
What are the key properties of 6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109162705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).