2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride

C20H26ClN3O2S — CID 119278980

About 2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride

2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride (PubChem CID 119278980) has the molecular formula C20H26ClN3O2S and a molecular weight of 407.97 g/mol. Its IUPAC name is 2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride
• PubChem CID: 119278980
• Molecular Formula: C20H26ClN3O2S
• Molecular Weight: 407.97 g/mol
• Exact Mass: 407.14
• IUPAC Name: 2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride
• SMILES: CCCC(N)C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C.Cl
• InChI: InChI=1S/C20H25N3O2S.ClH/c1-3-5-16(21)19(24)22-17-7-4-6-15(13(17)2)20(25)23-10-8-18-14(12-23)9-11-26-18;/h4,6-7,9,11,16H,3,5,8,10,12,21H2,1-2H3,(H,22,24);1H
• InChIKey: UCRJSRAQSDFUTH-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 75.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.97
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride?

The IUPAC name of 2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride (CID 119278980) is 2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride.

What is the SMILES notation for 2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride?

The canonical SMILES for 2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride is CCCC(N)C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C.Cl.

What is the InChIKey of 2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride?

The InChIKey is UCRJSRAQSDFUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S.ClH/c1-3-5-16(21)19(24)22-17-7-4-6-15(13(17)2)20(25)23-10-8-18-14(12-23)9-11-26-18;/h4,6-7,9,11,16H,3,5,8,10,12,21H2,1-2H3,(H,22,24);1H.

What are the key properties of 2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride?

2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride has a molecular weight of 407.97 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119278980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).