2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide

C23H31IN4O2 — CID 119146113

About 2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide

2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide (PubChem CID 119146113) has the molecular formula C23H31IN4O2 and a molecular weight of 522.43 g/mol. Its IUPAC name is 2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
• PubChem CID: 119146113
• Molecular Formula: C23H31IN4O2
• Molecular Weight: 522.43 g/mol
• Exact Mass: 522.15
• IUPAC Name: 2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
• SMILES: C/N=C(\NCc1ccnc(OC2CCOCC2)c1)NC1CCc2ccccc2C1.I
• InChI: InChI=1S/C23H30N4O2.HI/c1-24-23(27-20-7-6-18-4-2-3-5-19(18)15-20)26-16-17-8-11-25-22(14-17)29-21-9-12-28-13-10-21;/h2-5,8,11,14,20-21H,6-7,9-10,12-13,15-16H2,1H3,(H2,24,26,27);1H
• InChIKey: HSGRUYFIWQDZSI-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 67.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.43
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide?

The IUPAC name of 2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide (CID 119146113) is 2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide.

What is the SMILES notation for 2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide?

The canonical SMILES for 2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide is C/N=C(\NCc1ccnc(OC2CCOCC2)c1)NC1CCc2ccccc2C1.I.

What is the InChIKey of 2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide?

The InChIKey is HSGRUYFIWQDZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.HI/c1-24-23(27-20-7-6-18-4-2-3-5-19(18)15-20)26-16-17-8-11-25-22(14-17)29-21-9-12-28-13-10-21;/h2-5,8,11,14,20-21H,6-7,9-10,12-13,15-16H2,1H3,(H2,24,26,27);1H.

What are the key properties of 2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide?

2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide has a molecular weight of 522.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 119146113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).