3-pyrimidin-4-ylbenzamide

C11H9N3O — CID 67036490

IUPAC3-pyrimidin-4-ylbenzamide
SMILESNC(=O)c1cccc(-c2ccncn2)c1
InChIInChI=1S/C11H9N3O/c12-11(15)9-3-1-2-8(6-9)10-4-5-13-7-14-10/h1-7H,(H2,12,15)
InChIKeyXUJJLJUALZKHHN-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.24
Rot. Bonds2

About 3-pyrimidin-4-ylbenzamide

3-pyrimidin-4-ylbenzamide (PubChem CID 67036490) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-pyrimidin-4-ylbenzamide.

Molecular Properties

Compound Name3-pyrimidin-4-ylbenzamide
PubChem CID67036490
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name3-pyrimidin-4-ylbenzamide
SMILESNC(=O)c1cccc(-c2ccncn2)c1
InChIInChI=1S/C11H9N3O/c12-11(15)9-3-1-2-8(6-9)10-4-5-13-7-14-10/h1-7H,(H2,12,15)
InChIKeyXUJJLJUALZKHHN-UHFFFAOYSA-N
XLogP1.24
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-pyridin-2-ylphenyl)pyrimidine
CID 172541875
3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
CID 140566160
3-(5-chloro-2-pyridinyl)benzamide
CID 91358917
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
3-(4-pyrimidin-4-ylanilino)benzoic acid
CID 164589819
ethane;4-(3-methylphenyl)pyrimidine
CID 144572009
ethane;4-(3-methylphenyl)pyrimidine
CID 178100798
4-(2-phenyl-4-pyridinyl)pyrimidine
CID 58421020
3-(1,2,5-oxadiazol-3-yl)benzamide
CID 142794316
2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 91011243
3-(2-methyl-3-pyridinyl)benzamide
CID 90167933
6-(3-aminophenyl)pyridine-3-carboxamide
CID 174708231

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-4-ylbenzamide?
The IUPAC name of 3-pyrimidin-4-ylbenzamide (CID 67036490) is 3-pyrimidin-4-ylbenzamide.
What is the SMILES notation for 3-pyrimidin-4-ylbenzamide?
The canonical SMILES for 3-pyrimidin-4-ylbenzamide is NC(=O)c1cccc(-c2ccncn2)c1.
What is the InChIKey of 3-pyrimidin-4-ylbenzamide?
The InChIKey is XUJJLJUALZKHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-11(15)9-3-1-2-8(6-9)10-4-5-13-7-14-10/h1-7H,(H2,12,15).
What are the key properties of 3-pyrimidin-4-ylbenzamide?
3-pyrimidin-4-ylbenzamide has a molecular weight of 199.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-4-ylbenzamide is sourced from PubChem (CID 67036490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).