N-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide

C27H31N3O3 — CID 166629588

IUPACN-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C27H31N3O3/c31-27(29-20-22-5-2-1-3-6-22)19-25-10-7-24(21-28-25)23-8-11-26(12-9-23)33-16-4-13-30-14-17-32-18-15-30/h1-3,5-12,21H,4,13-20H2,(H,29,31)
InChIKeyOUFHZZJDVQRYFC-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.71
Rot. Bonds10

About N-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide

N-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide (PubChem CID 166629588) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide
PubChem CID166629588
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C27H31N3O3/c31-27(29-20-22-5-2-1-3-6-22)19-25-10-7-24(21-28-25)23-8-11-26(12-9-23)33-16-4-13-30-14-17-32-18-15-30/h1-3,5-12,21H,4,13-20H2,(H,29,31)
InChIKeyOUFHZZJDVQRYFC-UHFFFAOYSA-N
XLogP3.71
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide (CID 166629588) is N-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide is O=C(Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide?
The InChIKey is OUFHZZJDVQRYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c31-27(29-20-22-5-2-1-3-6-22)19-25-10-7-24(21-28-25)23-8-11-26(12-9-23)33-16-4-13-30-14-17-32-18-15-30/h1-3,5-12,21H,4,13-20H2,(H,29,31).
What are the key properties of N-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide?
N-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide has a molecular weight of 445.56 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166629588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).