N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide

C23H40IN7O2 — CID 110039282

About N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide (PubChem CID 110039282) has the molecular formula C23H40IN7O2 and a molecular weight of 573.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide
• PubChem CID: 110039282
• Molecular Formula: C23H40IN7O2
• Molecular Weight: 573.52 g/mol
• Exact Mass: 573.23
• IUPAC Name: N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide
• SMILES: CN(C)C(=O)C/N=C(\NCCCN1CCOCC1)NC1CCN(Cc2ccccn2)CC1.I
• InChI: InChI=1S/C23H39N7O2.HI/c1-28(2)22(31)18-26-23(25-10-5-11-29-14-16-32-17-15-29)27-20-7-12-30(13-8-20)19-21-6-3-4-9-24-21;/h3-4,6,9,20H,5,7-8,10-19H2,1-2H3,(H2,25,26,27);1H
• InChIKey: XRHUGJAOIDOPPK-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 85.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.52
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide?

The IUPAC name of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide (CID 110039282) is N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide.

What is the SMILES notation for N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide?

The canonical SMILES for N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide is CN(C)C(=O)C/N=C(\NCCCN1CCOCC1)NC1CCN(Cc2ccccn2)CC1.I.

What is the InChIKey of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide?

The InChIKey is XRHUGJAOIDOPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N7O2.HI/c1-28(2)22(31)18-26-23(25-10-5-11-29-14-16-32-17-15-29)27-20-7-12-30(13-8-20)19-21-6-3-4-9-24-21;/h3-4,6,9,20H,5,7-8,10-19H2,1-2H3,(H2,25,26,27);1H.

What are the key properties of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide?

N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 573.52 g/mol, XLogP of 1.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 110039282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).