3-amino-N-methyl-6-[(3S)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C19H22N6OS — CID 124944371

About 3-amino-N-methyl-6-[(3S)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-methyl-6-[(3S)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 124944371) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[(3S)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-methyl-6-[(3S)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 124944371
• Molecular Formula: C19H22N6OS
• Molecular Weight: 382.49 g/mol
• Exact Mass: 382.16
• IUPAC Name: 3-amino-N-methyl-6-[(3S)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CNC(=O)c1sc2nc([C@@]3(C)CCCN(c4ncccn4)C3)ccc2c1N
• InChI: InChI=1S/C19H22N6OS/c1-19(7-3-10-25(11-19)18-22-8-4-9-23-18)13-6-5-12-14(20)15(16(26)21-2)27-17(12)24-13/h4-6,8-9H,3,7,10-11,20H2,1-2H3,(H,21,26)/t19-/m0/s1
• InChIKey: BJEFMDPQSJNJCP-IBGZPJMESA-N
• XLogP: 2.59
• TPSA: 97.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.49
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-methyl-6-[(3S)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 124944371) is 3-amino-N-methyl-6-[(3S)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-N-methyl-6-[(3S)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc([C@@]3(C)CCCN(c4ncccn4)C3)ccc2c1N.

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

The InChIKey is BJEFMDPQSJNJCP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N6OS/c1-19(7-3-10-25(11-19)18-22-8-4-9-23-18)13-6-5-12-14(20)15(16(26)21-2)27-17(12)24-13/h4-6,8-9H,3,7,10-11,20H2,1-2H3,(H,21,26)/t19-/m0/s1.

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

3-amino-N-methyl-6-[(3S)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 2.59, 3 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-[(3S)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 124944371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).