N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C17H22N4O5 — CID 91772492

About N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 91772492) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
• PubChem CID: 91772492
• Molecular Formula: C17H22N4O5
• Molecular Weight: 362.39 g/mol
• Exact Mass: 362.16
• IUPAC Name: N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
• SMILES: COc1cncc(C(NC(=O)CN2C(=O)CN(C)C2=O)C2CC(O)C2)c1
• InChI: InChI=1S/C17H22N4O5/c1-20-9-15(24)21(17(20)25)8-14(23)19-16(10-3-12(22)4-10)11-5-13(26-2)7-18-6-11/h5-7,10,12,16,22H,3-4,8-9H2,1-2H3,(H,19,23)
• InChIKey: BCMPMBYPXYKVIZ-UHFFFAOYSA-N
• XLogP: -0.09
• TPSA: 112.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.39
LogP ≤ 5	-0.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?

The IUPAC name of N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 91772492) is N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?

The canonical SMILES for N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is COc1cncc(C(NC(=O)CN2C(=O)CN(C)C2=O)C2CC(O)C2)c1.

What is the InChIKey of N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?

The InChIKey is BCMPMBYPXYKVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-20-9-15(24)21(17(20)25)8-14(23)19-16(10-3-12(22)4-10)11-5-13(26-2)7-18-6-11/h5-7,10,12,16,22H,3-4,8-9H2,1-2H3,(H,19,23).

What are the key properties of N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?

N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 362.39 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 91772492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).