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

C23H25N7O2 — CID 77419885

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

6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 77419885) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
• PubChem CID: 77419885
• Molecular Formula: C23H25N7O2
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.21
• IUPAC Name: 6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
• SMILES: CC(=O)c1cccc(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)n1
• InChI: InChI=1S/C23H25N7O2/c1-14(31)17-5-2-6-18(27-17)19-8-7-16(25)22(28-19)23(32)29-20-12-26-10-9-21(20)30-11-3-4-15(24)13-30/h2,5-10,12,15H,3-4,11,13,24-25H2,1H3,(H,29,32)
• InChIKey: IHFQNCLVHNQTHN-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 140.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide (CID 77419885) is 6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide.

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

The canonical SMILES for 6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide is CC(=O)c1cccc(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)n1.

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

The InChIKey is IHFQNCLVHNQTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-14(31)17-5-2-6-18(27-17)19-8-7-16(25)22(28-19)23(32)29-20-12-26-10-9-21(20)30-11-3-4-15(24)13-30/h2,5-10,12,15H,3-4,11,13,24-25H2,1H3,(H,29,32).

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

6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 77419885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).