N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide

C21H26N6O2S2 — CID 44513522

About N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide

N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide (PubChem CID 44513522) has the molecular formula C21H26N6O2S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
• PubChem CID: 44513522
• Molecular Formula: C21H26N6O2S2
• Molecular Weight: 458.61 g/mol
• Exact Mass: 458.16
• IUPAC Name: N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
• SMILES: CN(C)CCCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)Nc1ccsc1
• InChI: InChI=1S/C21H26N6O2S2/c1-26(2)7-3-8-27(21(29)24-16-6-9-30-12-16)11-15-4-5-18(23-10-15)20(28)25-19-14-31-13-17(19)22/h4-6,9-10,12-14H,3,7-8,11,22H2,1-2H3,(H,24,29)(H,25,28)
• InChIKey: SFBIZQNZAJBLCU-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 103.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.61
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?

The IUPAC name of N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide (CID 44513522) is N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?

The canonical SMILES for N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide is CN(C)CCCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)Nc1ccsc1.

What is the InChIKey of N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?

The InChIKey is SFBIZQNZAJBLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S2/c1-26(2)7-3-8-27(21(29)24-16-6-9-30-12-16)11-15-4-5-18(23-10-15)20(28)25-19-14-31-13-17(19)22/h4-6,9-10,12-14H,3,7-8,11,22H2,1-2H3,(H,24,29)(H,25,28).

What are the key properties of N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?

N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 4.02, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 44513522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).