N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide

C25H33N5O2 — CID 156724065

About N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide

N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide (PubChem CID 156724065) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide.

Molecular Properties

• Compound Name: N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
• PubChem CID: 156724065
• Molecular Formula: C25H33N5O2
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.26
• IUPAC Name: N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
• SMILES: CCN(CC(C)N(CC)c1ccc(C#N)cn1)C(=O)CNC1CCc2ccc(OC)cc21
• InChI: InChI=1S/C25H33N5O2/c1-5-29(17-18(3)30(6-2)24-12-7-19(14-26)15-28-24)25(31)16-27-23-11-9-20-8-10-21(32-4)13-22(20)23/h7-8,10,12-13,15,18,23,27H,5-6,9,11,16-17H2,1-4H3
• InChIKey: IRGGGNXGGFECAH-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 81.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide?

The IUPAC name of N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide (CID 156724065) is N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide.

What is the SMILES notation for N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide?

The canonical SMILES for N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide is CCN(CC(C)N(CC)c1ccc(C#N)cn1)C(=O)CNC1CCc2ccc(OC)cc21.

What is the InChIKey of N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide?

The InChIKey is IRGGGNXGGFECAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-5-29(17-18(3)30(6-2)24-12-7-19(14-26)15-28-24)25(31)16-27-23-11-9-20-8-10-21(32-4)13-22(20)23/h7-8,10,12-13,15,18,23,27H,5-6,9,11,16-17H2,1-4H3.

What are the key properties of N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide?

N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide has a molecular weight of 435.57 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide is sourced from PubChem (CID 156724065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).