N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide

C21H20N4O2 — CID 109241783

IUPACN-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cncc(Nc3ccccc3C)c2)c1
InChIInChI=1S/C21H20N4O2/c1-14-6-3-4-9-20(14)24-19-10-16(12-22-13-19)21(27)25-18-8-5-7-17(11-18)23-15(2)26/h3-13,24H,1-2H3,(H,23,26)(H,25,27)
InChIKeyXMJJAPQYAGWBJT-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.34
Rot. Bonds5

About N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide

N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide (PubChem CID 109241783) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
PubChem CID109241783
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cncc(Nc3ccccc3C)c2)c1
InChIInChI=1S/C21H20N4O2/c1-14-6-3-4-9-20(14)24-19-10-16(12-22-13-19)21(27)25-18-8-5-7-17(11-18)23-15(2)26/h3-13,24H,1-2H3,(H,23,26)(H,25,27)
InChIKeyXMJJAPQYAGWBJT-UHFFFAOYSA-N
XLogP4.34
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109244893
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241801
N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide
CID 109239269
5-(2-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232047
5-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546
N-(4-acetamidophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242868
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243411

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide (CID 109241783) is N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cncc(Nc3ccccc3C)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide?
The InChIKey is XMJJAPQYAGWBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-6-3-4-9-20(14)24-19-10-16(12-22-13-19)21(27)25-18-8-5-7-17(11-18)23-15(2)26/h3-13,24H,1-2H3,(H,23,26)(H,25,27).
What are the key properties of N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide?
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109241783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).