3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

C19H19N5OS2 — CID 11838626

About 3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 11838626) has the molecular formula C19H19N5OS2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
• PubChem CID: 11838626
• Molecular Formula: C19H19N5OS2
• Molecular Weight: 397.53 g/mol
• Exact Mass: 397.10
• IUPAC Name: 3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
• SMILES: Cc1sc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)c(C#N)c1C
• InChI: InChI=1S/C19H19N5OS2/c1-9-10(2)26-19(13(9)7-20)23-17(25)16-15(21)12-6-11-8-24(3)5-4-14(11)22-18(12)27-16/h6H,4-5,8,21H2,1-3H3,(H,23,25)
• InChIKey: ADJWYPGTEOODKR-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 95.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.53
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?

The IUPAC name of 3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 11838626) is 3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is Cc1sc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)c(C#N)c1C.

What is the InChIKey of 3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?

The InChIKey is ADJWYPGTEOODKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS2/c1-9-10(2)26-19(13(9)7-20)23-17(25)16-15(21)12-6-11-8-24(3)5-4-14(11)22-18(12)27-16/h6H,4-5,8,21H2,1-3H3,(H,23,25).

What are the key properties of 3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?

3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 397.53 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 11838626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).