4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide

C25H21N5OS — CID 59662707

About 4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide

4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide (PubChem CID 59662707) has the molecular formula C25H21N5OS and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
• PubChem CID: 59662707
• Molecular Formula: C25H21N5OS
• Molecular Weight: 439.54 g/mol
• Exact Mass: 439.15
• IUPAC Name: 4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
• SMILES: Cc1ccc(C(=O)Nc2ccc3ccn(C)c3c2)cc1Nc1nc(-c2cccnc2)cs1
• InChI: InChI=1S/C25H21N5OS/c1-16-5-6-18(24(31)27-20-8-7-17-9-11-30(2)23(17)13-20)12-21(16)28-25-29-22(15-32-25)19-4-3-10-26-14-19/h3-15H,1-2H3,(H,27,31)(H,28,29)
• InChIKey: IENULMBUSCEXEV-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.54
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?

The IUPAC name of 4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide (CID 59662707) is 4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide.

What is the SMILES notation for 4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?

The canonical SMILES for 4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide is Cc1ccc(C(=O)Nc2ccc3ccn(C)c3c2)cc1Nc1nc(-c2cccnc2)cs1.

What is the InChIKey of 4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?

The InChIKey is IENULMBUSCEXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5OS/c1-16-5-6-18(24(31)27-20-8-7-17-9-11-30(2)23(17)13-20)12-21(16)28-25-29-22(15-32-25)19-4-3-10-26-14-19/h3-15H,1-2H3,(H,27,31)(H,28,29).

What are the key properties of 4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?

4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 439.54 g/mol, XLogP of 6.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 59662707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).