3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide

C24H24N6OS2 — CID 77420803

About 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide

3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide (PubChem CID 77420803) has the molecular formula C24H24N6OS2 and a molecular weight of 476.63 g/mol. Its IUPAC name is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide
• PubChem CID: 77420803
• Molecular Formula: C24H24N6OS2
• Molecular Weight: 476.63 g/mol
• Exact Mass: 476.15
• IUPAC Name: 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide
• SMILES: Nc1ccc(-c2ccc(-c3cccs3)s2)nc1C(=O)Nc1cnccc1N1CCCC(N)C1
• InChI: InChI=1S/C24H24N6OS2/c25-15-3-1-11-30(14-15)19-9-10-27-13-18(19)29-24(31)23-16(26)5-6-17(28-23)20-7-8-22(33-20)21-4-2-12-32-21/h2,4-10,12-13,15H,1,3,11,14,25-26H2,(H,29,31)
• InChIKey: JBWQZFQXQTTXBS-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 110.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.63
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide (CID 77420803) is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide is Nc1ccc(-c2ccc(-c3cccs3)s2)nc1C(=O)Nc1cnccc1N1CCCC(N)C1.

What is the InChIKey of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide?

The InChIKey is JBWQZFQXQTTXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6OS2/c25-15-3-1-11-30(14-15)19-9-10-27-13-18(19)29-24(31)23-16(26)5-6-17(28-23)20-7-8-22(33-20)21-4-2-12-32-21/h2,4-10,12-13,15H,1,3,11,14,25-26H2,(H,29,31).

What are the key properties of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide?

3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide has a molecular weight of 476.63 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 77420803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).