N-(2,6-diphenylpyrimidin-4-yl)benzamide

C23H17N3O — CID 11245073

IUPACN-(2,6-diphenylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H17N3O/c27-23(19-14-8-3-9-15-19)26-21-16-20(17-10-4-1-5-11-17)24-22(25-21)18-12-6-2-7-13-18/h1-16H,(H,24,25,26,27)
InChIKeyGQFWFPVBIHHTGX-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.06
Rot. Bonds4

About N-(2,6-diphenylpyrimidin-4-yl)benzamide

N-(2,6-diphenylpyrimidin-4-yl)benzamide (PubChem CID 11245073) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2,6-diphenylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2,6-diphenylpyrimidin-4-yl)benzamide
PubChem CID11245073
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC NameN-(2,6-diphenylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H17N3O/c27-23(19-14-8-3-9-15-19)26-21-16-20(17-10-4-1-5-11-17)24-22(25-21)18-12-6-2-7-13-18/h1-16H,(H,24,25,26,27)
InChIKeyGQFWFPVBIHHTGX-UHFFFAOYSA-N
XLogP5.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-phenyl-2-pyridinyl)benzamide
CID 24949410
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide
CID 11371386
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid
CID 139886551
N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide
CID 71579986
N-(3-benzamidophenazin-2-yl)benzamide
CID 3547793
1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015887
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide
CID 108808501
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 3867896
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)benzamide?
The IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)benzamide (CID 11245073) is N-(2,6-diphenylpyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(2,6-diphenylpyrimidin-4-yl)benzamide?
The canonical SMILES for N-(2,6-diphenylpyrimidin-4-yl)benzamide is O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-(2,6-diphenylpyrimidin-4-yl)benzamide?
The InChIKey is GQFWFPVBIHHTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c27-23(19-14-8-3-9-15-19)26-21-16-20(17-10-4-1-5-11-17)24-22(25-21)18-12-6-2-7-13-18/h1-16H,(H,24,25,26,27).
What are the key properties of N-(2,6-diphenylpyrimidin-4-yl)benzamide?
N-(2,6-diphenylpyrimidin-4-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diphenylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 11245073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).