N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane

C26H31N5O2 — CID 156724184

About N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane

N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane (PubChem CID 156724184) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane.

Molecular Properties

• Compound Name: N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane
• PubChem CID: 156724184
• Molecular Formula: C26H31N5O2
• Molecular Weight: 445.57 g/mol
• Exact Mass: 445.25
• IUPAC Name: N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane
• SMILES: CC.CCN(/C(C)=C/NC(=O)COC(C)c1cccc2ncccc12)c1ccc(C#N)cn1
• InChI: InChI=1S/C24H25N5O2.C2H6/c1-4-29(23-11-10-19(13-25)15-27-23)17(2)14-28-24(30)16-31-18(3)20-7-5-9-22-21(20)8-6-12-26-22;1-2/h5-12,14-15,18H,4,16H2,1-3H3,(H,28,30);1-2H3/b17-14+
• InChIKey: ZMESJPPZAARMLW-KLSJZZFUSA-N
• XLogP: 5.11
• TPSA: 91.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.57
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane?

The IUPAC name of N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane (CID 156724184) is N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane.

What is the SMILES notation for N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane?

The canonical SMILES for N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane is CC.CCN(/C(C)=C/NC(=O)COC(C)c1cccc2ncccc12)c1ccc(C#N)cn1.

What is the InChIKey of N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane?

The InChIKey is ZMESJPPZAARMLW-KLSJZZFUSA-N. The full InChI is InChI=1S/C24H25N5O2.C2H6/c1-4-29(23-11-10-19(13-25)15-27-23)17(2)14-28-24(30)16-31-18(3)20-7-5-9-22-21(20)8-6-12-26-22;1-2/h5-12,14-15,18H,4,16H2,1-3H3,(H,28,30);1-2H3/b17-14+;.

What are the key properties of N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane?

N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane has a molecular weight of 445.57 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-(1-quinolin-5-ylethoxy)acetamide;ethane is sourced from PubChem (CID 156724184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).