3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide

C21H27N3O3S — CID 102478428

About 3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 102478428) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 102478428
• Molecular Formula: C21H27N3O3S
• Molecular Weight: 401.53 g/mol
• Exact Mass: 401.18
• IUPAC Name: 3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: COCc1cc(C)nc2sc(C(=O)N(Cc3ccc(C)o3)C(C)(C)C)c(N)c12
• InChI: InChI=1S/C21H27N3O3S/c1-12-9-14(11-26-6)16-17(22)18(28-19(16)23-12)20(25)24(21(3,4)5)10-15-8-7-13(2)27-15/h7-9H,10-11,22H2,1-6H3
• InChIKey: TYEHMXGDLCYXOG-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 81.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.53
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide (CID 102478428) is 3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide is COCc1cc(C)nc2sc(C(=O)N(Cc3ccc(C)o3)C(C)(C)C)c(N)c12.

What is the InChIKey of 3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is TYEHMXGDLCYXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-12-9-14(11-26-6)16-17(22)18(28-19(16)23-12)20(25)24(21(3,4)5)10-15-8-7-13(2)27-15/h7-9H,10-11,22H2,1-6H3.

What are the key properties of 3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 102478428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).