6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide

C22H22N4O2 — CID 109162750

IUPAC6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cn2)c1
InChIInChI=1S/C22H22N4O2/c1-14-6-4-7-15(2)21(14)26-22(28)17-10-11-20(23-13-17)25-19-9-5-8-18(12-19)24-16(3)27/h4-13H,1-3H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyQCJBKJSFVBXMGE-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.65
Rot. Bonds5

About 6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide

6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109162750) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109162750
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cn2)c1
InChIInChI=1S/C22H22N4O2/c1-14-6-4-7-15(2)21(14)26-22(28)17-10-11-20(23-13-17)25-19-9-5-8-18(12-19)24-16(3)27/h4-13H,1-3H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyQCJBKJSFVBXMGE-UHFFFAOYSA-N
XLogP4.65
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109162236
methyl 3-[[5-[(2,6-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109162753
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266
N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109162684
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109176756
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071
N-(2-ethyl-6-methylphenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 109162989
6-(4-acetamidoanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109164557
2-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177121
6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156577
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112877486

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide (CID 109162750) is 6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide is CC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cn2)c1.
What is the InChIKey of 6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is QCJBKJSFVBXMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-6-4-7-15(2)21(14)26-22(28)17-10-11-20(23-13-17)25-19-9-5-8-18(12-19)24-16(3)27/h4-13H,1-3H3,(H,23,25)(H,24,27)(H,26,28).
What are the key properties of 6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.65, 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-(2,6-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109162750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).