N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide

C22H22N4O2 — CID 109162684

IUPACN-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Nc3cc(C)cc(C)c3)nc2)c1
InChIInChI=1S/C22H22N4O2/c1-14-9-15(2)11-20(10-14)25-21-8-7-17(13-23-21)22(28)26-19-6-4-5-18(12-19)24-16(3)27/h4-13H,1-3H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyHZTUZGRMTJXYJN-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.65
Rot. Bonds5

About N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide

N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide (PubChem CID 109162684) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide
PubChem CID109162684
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Nc3cc(C)cc(C)c3)nc2)c1
InChIInChI=1S/C22H22N4O2/c1-14-9-15(2)11-20(10-14)25-21-8-7-17(13-23-21)22(28)26-19-6-4-5-18(12-19)24-16(3)27/h4-13H,1-3H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyHZTUZGRMTJXYJN-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
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266
6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109162750
6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162705
6-(4-acetamidoanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109164557
methyl 4-[[6-(3,5-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162688
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176712
6-hydrazinyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 51370235
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
6-anilino-N-(3-bromophenyl)pyridine-3-carboxamide
CID 109162087
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide (CID 109162684) is N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc(Nc3cc(C)cc(C)c3)nc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is HZTUZGRMTJXYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-9-15(2)11-20(10-14)25-21-8-7-17(13-23-21)22(28)26-19-6-4-5-18(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 N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide?
N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)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 N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109162684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).