N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide

C24H19N3O — CID 3456434

IUPACN-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide
SMILESCc1cccc(NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C24H19N3O/c1-17-9-8-14-20(15-17)25-24(28)23-26-21(18-10-4-2-5-11-18)16-22(27-23)19-12-6-3-7-13-19/h2-16H,1H3,(H,25,28)
InChIKeyMEUGILLVGXBLIY-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.37
Rot. Bonds4

About N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide

N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide (PubChem CID 3456434) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide
PubChem CID3456434
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC NameN-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide
SMILESCc1cccc(NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C24H19N3O/c1-17-9-8-14-20(15-17)25-24(28)23-26-21(18-10-4-2-5-11-18)16-22(27-23)19-12-6-3-7-13-19/h2-16H,1H3,(H,25,28)
InChIKeyMEUGILLVGXBLIY-UHFFFAOYSA-N
XLogP5.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 3105380
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide
CID 164614577
N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide
CID 4245690
N-(3-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135435927
N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288086
6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854283
N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087403
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866906
6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide
CID 1122087
4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide
CID 1361933

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide?
The IUPAC name of N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide (CID 3456434) is N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide is Cc1cccc(NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide?
The InChIKey is MEUGILLVGXBLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-17-9-8-14-20(15-17)25-24(28)23-26-21(18-10-4-2-5-11-18)16-22(27-23)19-12-6-3-7-13-19/h2-16H,1H3,(H,25,28).
What are the key properties of N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide?
N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide is sourced from PubChem (CID 3456434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).