4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide

C23H20N6O — CID 23536120

IUPAC4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(Nc3ncnc(-c4cccnc4)n3)c2)cc1
InChIInChI=1S/C23H20N6O/c1-15-5-8-17(9-6-15)22(30)27-19-10-7-16(2)20(12-19)28-23-26-14-25-21(29-23)18-4-3-11-24-13-18/h3-14H,1-2H3,(H,27,30)(H,25,26,28,29)
InChIKeyWAARBVDWMOPLLJ-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.55
Rot. Bonds5

About 4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide

4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide (PubChem CID 23536120) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide
PubChem CID23536120
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(Nc3ncnc(-c4cccnc4)n3)c2)cc1
InChIInChI=1S/C23H20N6O/c1-15-5-8-17(9-6-15)22(30)27-19-10-7-16(2)20(12-19)28-23-26-14-25-21(29-23)18-4-3-11-24-13-18/h3-14H,1-2H3,(H,27,30)(H,25,26,28,29)
InChIKeyWAARBVDWMOPLLJ-UHFFFAOYSA-N
XLogP4.55
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide
CID 164995255
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 10298544
4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 25124216
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(prop-1-enylsulfonylamino)benzamide
CID 91225564
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethyl)benzamide;hydrobromide
CID 66555548
N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide
CID 10478636
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 59198168
4-chlorobenzoyl chloride;4-chloro-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;methane;4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 159152578
4-(diethoxyphosphorylmethoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 143223118
4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 25123232

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide (CID 23536120) is 4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(C)c(Nc3ncnc(-c4cccnc4)n3)c2)cc1.
What is the InChIKey of 4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide?
The InChIKey is WAARBVDWMOPLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-15-5-8-17(9-6-15)22(30)27-19-10-7-16(2)20(12-19)28-23-26-14-25-21(29-23)18-4-3-11-24-13-18/h3-14H,1-2H3,(H,27,30)(H,25,26,28,29).
What are the key properties of 4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide?
4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide has a molecular weight of 396.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 23536120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).