N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide

C22H21N3O2 — CID 109243199

IUPACN-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(Nc3c(C)cccc3C)c2)cc1
InChIInChI=1S/C22H21N3O2/c1-14-5-4-6-15(2)21(14)24-20-11-18(12-23-13-20)22(27)25-19-9-7-17(8-10-19)16(3)26/h4-13,24H,1-3H3,(H,25,27)
InChIKeyXVYJXCYWUYNLJM-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.90
Rot. Bonds5

About N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide

N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide (PubChem CID 109243199) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
PubChem CID109243199
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(Nc3c(C)cccc3C)c2)cc1
InChIInChI=1S/C22H21N3O2/c1-14-5-4-6-15(2)21(14)24-20-11-18(12-23-13-20)22(27)25-19-9-7-17(8-10-19)16(3)26/h4-13,24H,1-3H3,(H,25,27)
InChIKeyXVYJXCYWUYNLJM-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

5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243186
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006
5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243191
5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109243207
5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109243188
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874
N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242751
N-(4-acetylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245736
5-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 109243693
N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109243122
5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243465
N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245760

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide (CID 109243199) is N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cncc(Nc3c(C)cccc3C)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is XVYJXCYWUYNLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-5-4-6-15(2)21(14)24-20-11-18(12-23-13-20)22(27)25-19-9-7-17(8-10-19)16(3)26/h4-13,24H,1-3H3,(H,25,27).
What are the key properties of N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide?
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)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 N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109243199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).