N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide

C24H23N5OS — CID 93064821

About N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide

N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide (PubChem CID 93064821) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide
• PubChem CID: 93064821
• Molecular Formula: C24H23N5OS
• Molecular Weight: 429.55 g/mol
• Exact Mass: 429.16
• IUPAC Name: N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide
• SMILES: Cc1cc(C)nc(N[C@@H](c2ccccn2)c2cc(C)sc2NC(=O)c2ccccc2)n1
• InChI: InChI=1S/C24H23N5OS/c1-15-13-16(2)27-24(26-15)28-21(20-11-7-8-12-25-20)19-14-17(3)31-23(19)29-22(30)18-9-5-4-6-10-18/h4-14,21H,1-3H3,(H,29,30)(H,26,27,28)/t21-/m1/s1
• InChIKey: DPLHREKDPUQNBV-OAQYLSRUSA-N
• XLogP: 5.31
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.55
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide?

The IUPAC name of N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide (CID 93064821) is N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide.

What is the SMILES notation for N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide?

The canonical SMILES for N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide is Cc1cc(C)nc(N[C@@H](c2ccccn2)c2cc(C)sc2NC(=O)c2ccccc2)n1.

What is the InChIKey of N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide?

The InChIKey is DPLHREKDPUQNBV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-15-13-16(2)27-24(26-15)28-21(20-11-7-8-12-25-20)19-14-17(3)31-23(19)29-22(30)18-9-5-4-6-10-18/h4-14,21H,1-3H3,(H,29,30)(H,26,27,28)/t21-/m1/s1.

What are the key properties of N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide?

N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide has a molecular weight of 429.55 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide is sourced from PubChem (CID 93064821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).