N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide

C21H20N4O2 — CID 109162266

IUPACN-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Nc3ccc(C)cc3)nc2)c1
InChIInChI=1S/C21H20N4O2/c1-14-6-9-17(10-7-14)24-20-11-8-16(13-22-20)21(27)25-19-5-3-4-18(12-19)23-15(2)26/h3-13H,1-2H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyRNIRKWNFZFIBNV-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.34
Rot. Bonds5

About N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide

N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide (PubChem CID 109162266) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
PubChem CID109162266
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Nc3ccc(C)cc3)nc2)c1
InChIInChI=1S/C21H20N4O2/c1-14-6-9-17(10-7-14)24-20-11-8-16(13-22-20)21(27)25-19-5-3-4-18(12-19)23-15(2)26/h3-13H,1-2H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyRNIRKWNFZFIBNV-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
6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109162236
methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162269
6-(4-acetamidoanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109164557
6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109162750
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447
6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162705
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162858
N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864949

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide (CID 109162266) is N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc(Nc3ccc(C)cc3)nc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide?
The InChIKey is RNIRKWNFZFIBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-6-9-17(10-7-14)24-20-11-8-16(13-22-20)21(27)25-19-5-3-4-18(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 N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide?
N-(3-acetamidophenyl)-6-(4-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)-6-(4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109162266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).