N-(4-acetylphenyl)pyrimidine-5-carboxamide

C13H11N3O2 — CID 110466848

IUPACN-(4-acetylphenyl)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncnc2)cc1
InChIInChI=1S/C13H11N3O2/c1-9(17)10-2-4-12(5-3-10)16-13(18)11-6-14-8-15-7-11/h2-8H,1H3,(H,16,18)
InChIKeyYITXAXIADWTLCF-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.93
Rot. Bonds3

About N-(4-acetylphenyl)pyrimidine-5-carboxamide

N-(4-acetylphenyl)pyrimidine-5-carboxamide (PubChem CID 110466848) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(4-acetylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)pyrimidine-5-carboxamide
PubChem CID110466848
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(4-acetylphenyl)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncnc2)cc1
InChIInChI=1S/C13H11N3O2/c1-9(17)10-2-4-12(5-3-10)16-13(18)11-6-14-8-15-7-11/h2-8H,1H3,(H,16,18)
InChIKeyYITXAXIADWTLCF-UHFFFAOYSA-N
XLogP1.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)pyrimidine-5-carboxamide
CID 102921228
N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 110466850
N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
CID 109270119
N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239442
propyl 4-(pyrimidine-5-carbonylamino)benzoate
CID 104625950
N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide
CID 104627400
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 83408824
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243465
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)pyrimidine-5-carboxamide (CID 110466848) is N-(4-acetylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)pyrimidine-5-carboxamide is CC(=O)c1ccc(NC(=O)c2cncnc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)pyrimidine-5-carboxamide?
The InChIKey is YITXAXIADWTLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-9(17)10-2-4-12(5-3-10)16-13(18)11-6-14-8-15-7-11/h2-8H,1H3,(H,16,18).
What are the key properties of N-(4-acetylphenyl)pyrimidine-5-carboxamide?
N-(4-acetylphenyl)pyrimidine-5-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 110466848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).