N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide

C25H22N4O3 — CID 46331382

IUPACN-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1OC
InChIInChI=1S/C25H22N4O3/c1-31-21-12-11-20(16-22(21)32-2)28-25(30)18-9-6-10-19(15-18)27-23-13-14-26-24(29-23)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,28,30)(H,26,27,29)
InChIKeyBDDYPNFNALVTQJ-UHFFFAOYSA-N
MW426.48 g/mol
LogP5.16
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide

N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide (PubChem CID 46331382) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
PubChem CID46331382
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1OC
InChIInChI=1S/C25H22N4O3/c1-31-21-12-11-20(16-22(21)32-2)28-25(30)18-9-6-10-19(15-18)27-23-13-14-26-24(29-23)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,28,30)(H,26,27,29)
InChIKeyBDDYPNFNALVTQJ-UHFFFAOYSA-N
XLogP5.16
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078134
N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078359
N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078360
N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46331241
1-[3-(4-anilinopyrimidin-2-yl)phenyl]ethanone
CID 117089370
N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331360
N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826585
N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109222033
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide
CID 113048865
N-(3,4-dimethoxyphenyl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 50826559
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 53078296
N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109359259

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide (CID 46331382) is N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide is COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide?
The InChIKey is BDDYPNFNALVTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-31-21-12-11-20(16-22(21)32-2)28-25(30)18-9-6-10-19(15-18)27-23-13-14-26-24(29-23)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,28,30)(H,26,27,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide?
N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide has a molecular weight of 426.48 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 46331382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).