N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

C18H20N2O5S — CID 91765615

About N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (PubChem CID 91765615) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
• PubChem CID: 91765615
• Molecular Formula: C18H20N2O5S
• Molecular Weight: 376.43 g/mol
• Exact Mass: 376.11
• IUPAC Name: N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
• SMILES: COc1ccc(C(NC(=O)c2scc3c2OCCO3)C2CC(O)C2)cn1
• InChI: InChI=1S/C18H20N2O5S/c1-23-14-3-2-10(8-19-14)15(11-6-12(21)7-11)20-18(22)17-16-13(9-26-17)24-4-5-25-16/h2-3,8-9,11-12,15,21H,4-7H2,1H3,(H,20,22)
• InChIKey: IISDJJKXRKPBIH-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 89.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.43
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?

The IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (CID 91765615) is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide.

What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?

The canonical SMILES for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide is COc1ccc(C(NC(=O)c2scc3c2OCCO3)C2CC(O)C2)cn1.

What is the InChIKey of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?

The InChIKey is IISDJJKXRKPBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-23-14-3-2-10(8-19-14)15(11-6-12(21)7-11)20-18(22)17-16-13(9-26-17)24-4-5-25-16/h2-3,8-9,11-12,15,21H,4-7H2,1H3,(H,20,22).

What are the key properties of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide is sourced from PubChem (CID 91765615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).