3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

C24H30N6O2S — CID 124985728

About 3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 124985728) has the molecular formula C24H30N6O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 124985728
• Molecular Formula: C24H30N6O2S
• Molecular Weight: 466.61 g/mol
• Exact Mass: 466.22
• IUPAC Name: 3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)CCN(C)Cc3ccccn3)ccc2c1N
• InChI: InChI=1S/C24H30N6O2S/c1-26-23(32)22-21(25)17-9-10-18(28-24(17)33-22)19-8-4-6-13-30(19)20(31)11-14-29(2)15-16-7-3-5-12-27-16/h3,5,7,9-10,12,19H,4,6,8,11,13-15,25H2,1-2H3,(H,26,32)/t19-/m0/s1
• InChIKey: NTUYURQWCBGBFC-IBGZPJMESA-N
• XLogP: 3.21
• TPSA: 104.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.61
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 124985728) is 3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)CCN(C)Cc3ccccn3)ccc2c1N.

What is the InChIKey of 3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is NTUYURQWCBGBFC-IBGZPJMESA-N. The full InChI is InChI=1S/C24H30N6O2S/c1-26-23(32)22-21(25)17-9-10-18(28-24(17)33-22)19-8-4-6-13-30(19)20(31)11-14-29(2)15-16-7-3-5-12-27-16/h3,5,7,9-10,12,19H,4,6,8,11,13-15,25H2,1-2H3,(H,26,32)/t19-/m0/s1.

What are the key properties of 3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 124985728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).