N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

C25H22N4O2 — CID 53078224

IUPACN-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(Nc2ccnc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C25H22N4O2/c1-17-7-9-18(10-8-17)24-26-16-15-23(29-24)27-20-13-11-19(12-14-20)25(30)28-21-5-3-4-6-22(21)31-2/h3-16H,1-2H3,(H,28,30)(H,26,27,29)
InChIKeyAFXQNIFFFBVEEN-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.46
Rot. Bonds6

About N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 53078224) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID53078224
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(Nc2ccnc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C25H22N4O2/c1-17-7-9-18(10-8-17)24-26-16-15-23(29-24)27-20-13-11-19(12-14-20)25(30)28-21-5-3-4-6-22(21)31-2/h3-16H,1-2H3,(H,28,30)(H,26,27,29)
InChIKeyAFXQNIFFFBVEEN-UHFFFAOYSA-N
XLogP5.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078360
N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078214
N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078235
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-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314028
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 50783843
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-(2-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242131
N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078243
N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331382
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078371

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 53078224) is N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is COc1ccccc1NC(=O)c1ccc(Nc2ccnc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is AFXQNIFFFBVEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-7-9-18(10-8-17)24-26-16-15-23(29-24)27-20-13-11-19(12-14-20)25(30)28-21-5-3-4-6-22(21)31-2/h3-16H,1-2H3,(H,28,30)(H,26,27,29).
What are the key properties of N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 410.48 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 53078224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).