3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide

C25H20N4O3 — CID 166327273

IUPAC3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)ncn2)cc1
InChIInChI=1S/C25H20N4O3/c1-32-21-12-10-17(11-13-21)22-15-23(27-16-26-22)29-25(31)19-7-5-6-18(14-19)24(30)28-20-8-3-2-4-9-20/h2-16H,1H3,(H,28,30)(H,26,27,29,31)
InChIKeyDSBLEDWIZSDSAW-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.66
Rot. Bonds6

About 3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide

3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 166327273) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide
PubChem CID166327273
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)ncn2)cc1
InChIInChI=1S/C25H20N4O3/c1-32-21-12-10-17(11-13-21)22-15-23(27-16-26-22)29-25(31)19-7-5-6-18(14-19)24(30)28-20-8-3-2-4-9-20/h2-16H,1H3,(H,28,30)(H,26,27,29,31)
InChIKeyDSBLEDWIZSDSAW-UHFFFAOYSA-N
XLogP4.66
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate
CID 155970115
3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327278
3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327241
N-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139
N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021368
2-(4-methoxyphenoxy)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 166327221
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
methyl 2-[[6-(4-benzamidophenyl)pyrimidin-4-yl]amino]-3-phenylpropanoate
CID 58629255
2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327287
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
CID 10475851

Frequently Asked Questions

What is the IUPAC name of 3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide (CID 166327273) is 3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide is COc1ccc(-c2cc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)ncn2)cc1.
What is the InChIKey of 3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is DSBLEDWIZSDSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-32-21-12-10-17(11-13-21)22-15-23(27-16-26-22)29-25(31)19-7-5-6-18(14-19)24(30)28-20-8-3-2-4-9-20/h2-16H,1H3,(H,28,30)(H,26,27,29,31).
What are the key properties of 3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide?
3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 166327273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).