N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide

C23H16N4O2 — CID 46224440

IUPACN-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide
SMILESO=C(c1ccccc1)N(C(=O)c1ccccc1)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C23H16N4O2/c28-21(17-8-3-1-4-9-17)27(22(29)18-10-5-2-6-11-18)23-25-15-13-20(26-23)19-12-7-14-24-16-19/h1-16H
InChIKeyHEXSBKAUVKREBH-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.03
Rot. Bonds4

About N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide

N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide (PubChem CID 46224440) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound NameN-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide
PubChem CID46224440
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC NameN-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide
SMILESO=C(c1ccccc1)N(C(=O)c1ccccc1)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C23H16N4O2/c28-21(17-8-3-1-4-9-17)27(22(29)18-10-5-2-6-11-18)23-25-15-13-20(26-23)19-12-7-14-24-16-19/h1-16H
InChIKeyHEXSBKAUVKREBH-UHFFFAOYSA-N
XLogP4.03
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide
CID 46224452
4-(2-pyridin-3-ylpyrimidin-4-yl)phenol
CID 141472671
4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)benzoic acid
CID 99942334
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol
CID 72845904
4-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]benzoic acid
CID 174551670
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid
CID 104826784
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
2,6-dipyridin-3-ylpyridine
CID 13349632
2,4-diphenylpyrimidine;yttrium
CID 59738567
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183

Frequently Asked Questions

What is the IUPAC name of N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide?
The IUPAC name of N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide (CID 46224440) is N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide.
What is the SMILES notation for N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide?
The canonical SMILES for N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide is O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nccc(-c2cccnc2)n1.
What is the InChIKey of N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide?
The InChIKey is HEXSBKAUVKREBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c28-21(17-8-3-1-4-9-17)27(22(29)18-10-5-2-6-11-18)23-25-15-13-20(26-23)19-12-7-14-24-16-19/h1-16H.
What are the key properties of N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide?
N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide has a molecular weight of 380.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 46224440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).