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

C23H26N6O3S — CID 25051457

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

3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(4-methylsulfonylphenyl)pyridine-2-carboxamide (PubChem CID 25051457) has the molecular formula C23H26N6O3S and a molecular weight of 466.57 g/mol. Its IUPAC name is 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(4-methylsulfonylphenyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(4-methylsulfonylphenyl)pyridine-2-carboxamide
• PubChem CID: 25051457
• Molecular Formula: C23H26N6O3S
• Molecular Weight: 466.57 g/mol
• Exact Mass: 466.18
• IUPAC Name: 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(4-methylsulfonylphenyl)pyridine-2-carboxamide
• SMILES: CS(=O)(=O)c1ccc(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCC[C@H](N)C3)n2)cc1
• InChI: InChI=1S/C23H26N6O3S/c1-33(31,32)17-6-4-15(5-7-17)19-9-8-18(25)22(27-19)23(30)28-20-13-26-11-10-21(20)29-12-2-3-16(24)14-29/h4-11,13,16H,2-3,12,14,24-25H2,1H3,(H,28,30)/t16-/m0/s1
• InChIKey: PRGBSTMDHPXDON-INIZCTEOSA-N
• XLogP: 2.31
• TPSA: 144.30 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	466.57
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(4-methylsulfonylphenyl)pyridine-2-carboxamide (CID 25051457) is 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(4-methylsulfonylphenyl)pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(4-methylsulfonylphenyl)pyridine-2-carboxamide is CS(=O)(=O)c1ccc(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCC[C@H](N)C3)n2)cc1.

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

The InChIKey is PRGBSTMDHPXDON-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N6O3S/c1-33(31,32)17-6-4-15(5-7-17)19-9-8-18(25)22(27-19)23(30)28-20-13-26-11-10-21(20)29-12-2-3-16(24)14-29/h4-11,13,16H,2-3,12,14,24-25H2,1H3,(H,28,30)/t16-/m0/s1.

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

3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(4-methylsulfonylphenyl)pyridine-2-carboxamide has a molecular weight of 466.57 g/mol, XLogP of 2.31, 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-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(4-methylsulfonylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 25051457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).