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

C26H24N4O3 — CID 53078134

IUPACN-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(C)c4)n3)cc2)cc1OC
InChIInChI=1S/C26H24N4O3/c1-17-5-4-6-19(15-17)25-27-14-13-24(30-25)28-20-9-7-18(8-10-20)26(31)29-21-11-12-22(32-2)23(16-21)33-3/h4-16H,1-3H3,(H,29,31)(H,27,28,30)
InChIKeyHKROMAFXTGVIJP-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.47
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 53078134) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID53078134
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(C)c4)n3)cc2)cc1OC
InChIInChI=1S/C26H24N4O3/c1-17-5-4-6-19(15-17)25-27-14-13-24(30-25)28-20-9-7-18(8-10-20)26(31)29-21-11-12-22(32-2)23(16-21)33-3/h4-16H,1-3H3,(H,29,31)(H,27,28,30)
InChIKeyHKROMAFXTGVIJP-UHFFFAOYSA-N
XLogP5.47
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331382
N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078359
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 53078296
N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078224
N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078360
N-(3-chloro-4-methoxyphenyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320698
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-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46331135
N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
CID 109176250
N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176255
N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
CID 112987995

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 53078134) is N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide is COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(C)c4)n3)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is HKROMAFXTGVIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17-5-4-6-19(15-17)25-27-14-13-24(30-25)28-20-9-7-18(8-10-20)26(31)29-21-11-12-22(32-2)23(16-21)33-3/h4-16H,1-3H3,(H,29,31)(H,27,28,30).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 440.50 g/mol, XLogP of 5.47, 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)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 53078134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).