3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide

C28H23N7O — CID 164995255

IUPAC3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc(-c4cccnc4)n3)c2)c1
InChIInChI=1S/C28H23N7O/c1-18-6-3-9-23(14-18)31-27(36)20-11-10-19(2)24(15-20)32-28-34-25(21-7-4-12-29-16-21)33-26(35-28)22-8-5-13-30-17-22/h3-17H,1-2H3,(H,31,36)(H,32,33,34,35)
InChIKeyHCLJCEXFUXRYCL-UHFFFAOYSA-N
MW473.54 g/mol
LogP5.61
Rot. Bonds6

About 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide

3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide (PubChem CID 164995255) has the molecular formula C28H23N7O and a molecular weight of 473.54 g/mol. Its IUPAC name is 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide
PubChem CID164995255
Molecular FormulaC28H23N7O
Molecular Weight473.54 g/mol
Exact Mass473.20
IUPAC Name3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc(-c4cccnc4)n3)c2)c1
InChIInChI=1S/C28H23N7O/c1-18-6-3-9-23(14-18)31-27(36)20-11-10-19(2)24(15-20)32-28-34-25(21-7-4-12-29-16-21)33-26(35-28)22-8-5-13-30-17-22/h3-17H,1-2H3,(H,31,36)(H,32,33,34,35)
InChIKeyHCLJCEXFUXRYCL-UHFFFAOYSA-N
XLogP5.61
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide 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

4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 164973560
4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide
CID 23536120
3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 138857895
N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide
CID 146621414
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486
1-(3-methylphenyl)-3-(4-methylsulfanyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)urea
CID 58655401
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
3-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 175243985
3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 59651304
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide (CID 164995255) is 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc(-c4cccnc4)n3)c2)c1.
What is the InChIKey of 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide?
The InChIKey is HCLJCEXFUXRYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O/c1-18-6-3-9-23(14-18)31-27(36)20-11-10-19(2)24(15-20)32-28-34-25(21-7-4-12-29-16-21)33-26(35-28)22-8-5-13-30-17-22/h3-17H,1-2H3,(H,31,36)(H,32,33,34,35).
What are the key properties of 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide?
3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide has a molecular weight of 473.54 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 164995255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).