4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide

C₃₅H₄₀N₁₀O₂ — CID 154586796

About 4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide

4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide (PubChem CID 154586796) has the molecular formula C₃₅H₄₀N₁₀O₂ and a molecular weight of 632.77 g/mol. Its IUPAC name is 4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide.

Molecular Properties

• Compound Name: 4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
• PubChem CID: 154586796
• Molecular Formula: C₃₅H₄₀N₁₀O₂
• Molecular Weight: 632.77 g/mol
• Exact Mass: 632.33
• IUPAC Name: 4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
• SMILES: [H]/N=C(\c1ccnc(C)c1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N
• InChI: InChI=1S/C35H40N10O2/c1-23-19-27(9-14-40-23)31(37)32-28(36)7-8-29(42-32)45-18-13-35(34(45)47)12-17-43(21-35)20-30(46)44-15-10-25(11-16-44)24-3-5-26(6-4-24)33(38)41-22-39-2/h3-10,14,19,22,37H,11-13,15-18,20-21,36H2,1-2H3,(H2,38,39,41)/b37-31+/t35-/m0/s1
• InChIKey: YYGIZWFHBKKYRG-SOYLYEQHSA-N
• XLogP: 2.89
• TPSA: 170.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	632.77
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?

The IUPAC name of 4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide (CID 154586796) is 4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide.

What is the SMILES notation for 4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?

The canonical SMILES for 4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide is [H]/N=C(\c1ccnc(C)c1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.

What is the InChIKey of 4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?

The InChIKey is YYGIZWFHBKKYRG-SOYLYEQHSA-N. The full InChI is InChI=1S/C35H40N10O2/c1-23-19-27(9-14-40-23)31(37)32-28(36)7-8-29(42-32)45-18-13-35(34(45)47)12-17-43(21-35)20-30(46)44-15-10-25(11-16-44)24-3-5-26(6-4-24)33(38)41-22-39-2/h3-10,14,19,22,37H,11-13,15-18,20-21,36H2,1-2H3,(H2,38,39,41)/b37-31+/t35-/m0/s1.

What are the key properties of 4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?

4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide has a molecular weight of 632.77 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-[(5S)-2-[5-amino-6-(2-methylpyridine-4-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide is sourced from PubChem (CID 154586796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154586796 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.