N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide

C23H23N7O — CID 90719951

About N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide

N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide (PubChem CID 90719951) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide
• PubChem CID: 90719951
• Molecular Formula: C23H23N7O
• Molecular Weight: 413.49 g/mol
• Exact Mass: 413.20
• IUPAC Name: N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide
• SMILES: CNc1cc(-n2nc(C)cc2Nc2cc(NC(=O)c3ccccc3)ccc2C)ncn1
• InChI: InChI=1S/C23H23N7O/c1-15-9-10-18(27-23(31)17-7-5-4-6-8-17)12-19(15)28-22-11-16(2)29-30(22)21-13-20(24-3)25-14-26-21/h4-14,28H,1-3H3,(H,27,31)(H,24,25,26)
• InChIKey: MSVKECSZCOWUMY-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 96.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.49
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide?

The IUPAC name of N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide (CID 90719951) is N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide.

What is the SMILES notation for N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide?

The canonical SMILES for N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide is CNc1cc(-n2nc(C)cc2Nc2cc(NC(=O)c3ccccc3)ccc2C)ncn1.

What is the InChIKey of N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide?

The InChIKey is MSVKECSZCOWUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-15-9-10-18(27-23(31)17-7-5-4-6-8-17)12-19(15)28-22-11-16(2)29-30(22)21-13-20(24-3)25-14-26-21/h4-14,28H,1-3H3,(H,27,31)(H,24,25,26).

What are the key properties of N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide?

N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide has a molecular weight of 413.49 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide is sourced from PubChem (CID 90719951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).