5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide

C22H20N4OS — CID 155451356

About 5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide

5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide (PubChem CID 155451356) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide
• PubChem CID: 155451356
• Molecular Formula: C22H20N4OS
• Molecular Weight: 388.50 g/mol
• Exact Mass: 388.14
• IUPAC Name: 5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide
• SMILES: Cc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cnc4ccsc4c3)c2)c1
• InChI: InChI=1S/C22H20N4OS/c1-14-8-17(12-23-11-14)22(27)26-18-5-3-4-16(9-18)15(2)25-19-10-21-20(24-13-19)6-7-28-21/h3-13,15,25H,1-2H3,(H,26,27)/t15-/m0/s1
• InChIKey: VVTSGWSMCPZRHZ-HNNXBMFYSA-N
• XLogP: 5.43
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.50
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide?

The IUPAC name of 5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide (CID 155451356) is 5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cnc4ccsc4c3)c2)c1.

What is the InChIKey of 5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide?

The InChIKey is VVTSGWSMCPZRHZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-14-8-17(12-23-11-14)22(27)26-18-5-3-4-16(9-18)15(2)25-19-10-21-20(24-13-19)6-7-28-21/h3-13,15,25H,1-2H3,(H,26,27)/t15-/m0/s1.

What are the key properties of 5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide?

5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155451356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).