N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide

C24H22N4OS — CID 93064775

About N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide

N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide (PubChem CID 93064775) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide
• PubChem CID: 93064775
• Molecular Formula: C24H22N4OS
• Molecular Weight: 414.53 g/mol
• Exact Mass: 414.15
• IUPAC Name: N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide
• SMILES: Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2ccncc2)c1C
• InChI: InChI=1S/C24H22N4OS/c1-16-17(2)30-24(28-23(29)19-8-4-3-5-9-19)21(16)22(18-11-14-25-15-12-18)27-20-10-6-7-13-26-20/h3-15,22H,1-2H3,(H,26,27)(H,28,29)/t22-/m1/s1
• InChIKey: SDJYOGHTJYWOQY-JOCHJYFZSA-N
• XLogP: 5.61
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.53
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide?

The IUPAC name of N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide (CID 93064775) is N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide.

What is the SMILES notation for N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide?

The canonical SMILES for N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2ccncc2)c1C.

What is the InChIKey of N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide?

The InChIKey is SDJYOGHTJYWOQY-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H22N4OS/c1-16-17(2)30-24(28-23(29)19-8-4-3-5-9-19)21(16)22(18-11-14-25-15-12-18)27-20-10-6-7-13-26-20/h3-15,22H,1-2H3,(H,26,27)(H,28,29)/t22-/m1/s1.

What are the key properties of N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide?

N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide has a molecular weight of 414.53 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 93064775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).