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

C28H33N3O3 — CID 166626298

IUPACN-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCCCN3CCOCC3)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C28H33N3O3/c32-28(30-21-23-6-2-1-3-7-23)20-26-11-8-25(22-29-26)24-9-12-27(13-10-24)34-17-5-4-14-31-15-18-33-19-16-31/h1-3,6-13,22H,4-5,14-21H2,(H,30,32)
InChIKeyCJWVPAGYDBUSIS-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.10
Rot. Bonds11

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

N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide (PubChem CID 166626298) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide
PubChem CID166626298
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC NameN-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCCCN3CCOCC3)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C28H33N3O3/c32-28(30-21-23-6-2-1-3-7-23)20-26-11-8-25(22-29-26)24-9-12-27(13-10-24)34-17-5-4-14-31-15-18-33-19-16-31/h1-3,6-13,22H,4-5,14-21H2,(H,30,32)
InChIKeyCJWVPAGYDBUSIS-UHFFFAOYSA-N
XLogP4.10
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.10
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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Related Compounds

N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;methane;methyl 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetate;phenylmethanamine
CID 158207902
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide
CID 98007458
ethane;2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methyl]acetamide
CID 143708346
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide;dihydrochloride
CID 163320860
N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide
CID 59000643
N-benzyl-2-[5-[4-[2-[4-(2-cyclopropylacetyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 155925939
methyl 4-[4-[6-[2-(benzylamino)-2-oxoethyl]-3-pyridinyl]phenoxy]butanoate
CID 176892869
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide
CID 159739530
N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide
CID 59000676
2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide
CID 11504134
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
methane;methyl 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetate;2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 157211397

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide (CID 166626298) is N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide is O=C(Cc1ccc(-c2ccc(OCCCCN3CCOCC3)cc2)cn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide?
The InChIKey is CJWVPAGYDBUSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c32-28(30-21-23-6-2-1-3-7-23)20-26-11-8-25(22-29-26)24-9-12-27(13-10-24)34-17-5-4-14-31-15-18-33-19-16-31/h1-3,6-13,22H,4-5,14-21H2,(H,30,32).
What are the key properties of N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide?
N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide has a molecular weight of 459.59 g/mol, XLogP of 4.10, 11 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-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166626298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).