N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide

C25H23N5O — CID 72725631

IUPACN-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
SMILESCc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccncc1
InChIInChI=1S/C25H23N5O/c1-16-5-4-6-17(2)22(16)29-24(31)20-7-9-21(10-8-20)28-25-27-15-18(3)23(30-25)19-11-13-26-14-12-19/h4-15H,1-3H3,(H,29,31)(H,27,28,30)
InChIKeyJJVPSWKDHGPFEL-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.46
Rot. Bonds5

About N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide

N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide (PubChem CID 72725631) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
PubChem CID72725631
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC NameN-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
SMILESCc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccncc1
InChIInChI=1S/C25H23N5O/c1-16-5-4-6-17(2)22(16)29-24(31)20-7-9-21(10-8-20)28-25-27-15-18(3)23(30-25)19-11-13-26-14-12-19/h4-15H,1-3H3,(H,29,31)(H,27,28,30)
InChIKeyJJVPSWKDHGPFEL-UHFFFAOYSA-N
XLogP5.46
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide (CID 72725631) is N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide is Cc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccncc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide?
The InChIKey is JJVPSWKDHGPFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-16-5-4-6-17(2)22(16)29-24(31)20-7-9-21(10-8-20)28-25-27-15-18(3)23(30-25)19-11-13-26-14-12-19/h4-15H,1-3H3,(H,29,31)(H,27,28,30).
What are the key properties of N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide?
N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide has a molecular weight of 409.49 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 72725631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).