6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide

C21H20N4O2 — CID 109162236

IUPAC6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3cccc(C)c3)cn2)c1
InChIInChI=1S/C21H20N4O2/c1-14-5-3-6-17(11-14)25-21(27)16-9-10-20(22-13-16)24-19-8-4-7-18(12-19)23-15(2)26/h3-13H,1-2H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyGIYSBNXVPUGAQP-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.34
Rot. Bonds5

About 6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide

6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 109162236) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID109162236
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3cccc(C)c3)cn2)c1
InChIInChI=1S/C21H20N4O2/c1-14-5-3-6-17(11-14)25-21(27)16-9-10-20(22-13-16)24-19-8-4-7-18(12-19)23-15(2)26/h3-13H,1-2H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyGIYSBNXVPUGAQP-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

N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109162684
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266
6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109162750
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
6-hydrazinyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 51370235
6-(4-acetamidoanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109164557
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162705
6-anilino-N-(3-bromophenyl)pyridine-3-carboxamide
CID 109162087
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176712

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide (CID 109162236) is 6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide is CC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3cccc(C)c3)cn2)c1.
What is the InChIKey of 6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is GIYSBNXVPUGAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-5-3-6-17(11-14)25-21(27)16-9-10-20(22-13-16)24-19-8-4-7-18(12-19)23-15(2)26/h3-13H,1-2H3,(H,22,24)(H,23,26)(H,25,27).
What are the key properties of 6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
6-(3-acetamidoanilino)-N-(3-methylphenyl)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 6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109162236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).