N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide

C21H19N3O2 — CID 100753620

IUPACN-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)c1
InChIInChI=1S/C21H19N3O2/c1-14-19(13-22-20(23-14)11-16-7-4-3-5-8-16)21(26)24-18-10-6-9-17(12-18)15(2)25/h3-10,12-13H,11H2,1-2H3,(H,24,26)
InChIKeyGGZRBZOXDBHHDB-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.83
Rot. Bonds5

About N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide

N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide (PubChem CID 100753620) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide
PubChem CID100753620
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)c1
InChIInChI=1S/C21H19N3O2/c1-14-19(13-22-20(23-14)11-16-7-4-3-5-8-16)21(26)24-18-10-6-9-17(12-18)15(2)25/h3-10,12-13H,11H2,1-2H3,(H,24,26)
InChIKeyGGZRBZOXDBHHDB-UHFFFAOYSA-N
XLogP3.83
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
CID 53080148
2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide
CID 100753605
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648375
N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259587
N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide
CID 110861087
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
N-(3-acetylphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160811
N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide
CID 110861072
N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 110864853
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide (CID 100753620) is N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide is CC(=O)c1cccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide?
The InChIKey is GGZRBZOXDBHHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-19(13-22-20(23-14)11-16-7-4-3-5-8-16)21(26)24-18-10-6-9-17(12-18)15(2)25/h3-10,12-13H,11H2,1-2H3,(H,24,26).
What are the key properties of N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide?
N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 100753620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).