N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

C20H25N3O3 — CID 90641076

IUPACN-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCC(C)Oc1ccc(CNC(=O)COc2ccnc3c2CCCC3)cn1
InChIInChI=1S/C20H25N3O3/c1-14(2)26-20-8-7-15(12-23-20)11-22-19(24)13-25-18-9-10-21-17-6-4-3-5-16(17)18/h7-10,12,14H,3-6,11,13H2,1-2H3,(H,22,24)
InChIKeyXIYBIBUYAOIURN-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.84
Rot. Bonds7

About N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (PubChem CID 90641076) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.

Molecular Properties

Compound NameN-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
PubChem CID90641076
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCC(C)Oc1ccc(CNC(=O)COc2ccnc3c2CCCC3)cn1
InChIInChI=1S/C20H25N3O3/c1-14(2)26-20-8-7-15(12-23-20)11-22-19(24)13-25-18-9-10-21-17-6-4-3-5-16(17)18/h7-10,12,14H,3-6,11,13H2,1-2H3,(H,22,24)
InChIKeyXIYBIBUYAOIURN-UHFFFAOYSA-N
XLogP2.84
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The IUPAC name of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (CID 90641076) is N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.
What is the SMILES notation for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The canonical SMILES for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is CC(C)Oc1ccc(CNC(=O)COc2ccnc3c2CCCC3)cn1.
What is the InChIKey of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The InChIKey is XIYBIBUYAOIURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)26-20-8-7-15(12-23-20)11-22-19(24)13-25-18-9-10-21-17-6-4-3-5-16(17)18/h7-10,12,14H,3-6,11,13H2,1-2H3,(H,22,24).
What are the key properties of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is sourced from PubChem (CID 90641076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).