N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

C21H21N5O2 — CID 100779489

IUPACN-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C21H21N5O2/c1-13-12-14(2)23-21(22-13)26-19-7-5-4-6-18(19)20(28)25-17-10-8-16(9-11-17)24-15(3)27/h4-12H,1-3H3,(H,24,27)(H,25,28)(H,22,23,26)
InChIKeyWIOPQQIGMKWBEQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.05
Rot. Bonds5

About N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (PubChem CID 100779489) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
PubChem CID100779489
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C21H21N5O2/c1-13-12-14(2)23-21(22-13)26-19-7-5-4-6-18(19)20(28)25-17-10-8-16(9-11-17)24-15(3)27/h4-12H,1-3H3,(H,24,27)(H,25,28)(H,22,23,26)
InChIKeyWIOPQQIGMKWBEQ-UHFFFAOYSA-N
XLogP4.05
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779207
N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779345
N-[4-[[4-methyl-6-(2-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112927042
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide
CID 133254873
2-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]benzoic acid
CID 108807939
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-methylbenzamide
CID 121032199
N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide
CID 47058047
N-(4-fluorophenyl)-6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109336915
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide
CID 121032203
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 100779285
N-(4-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334759

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (CID 100779489) is N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is CC(=O)Nc1ccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The InChIKey is WIOPQQIGMKWBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-12-14(2)23-21(22-13)26-19-7-5-4-6-18(19)20(28)25-17-10-8-16(9-11-17)24-15(3)27/h4-12H,1-3H3,(H,24,27)(H,25,28)(H,22,23,26).
What are the key properties of N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide has a molecular weight of 375.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 100779489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).