2-(5-amino-2-pyridinyl)-N-octylacetamide

C15H25N3O — CID 107339440

IUPAC2-(5-amino-2-pyridinyl)-N-octylacetamide
SMILESCCCCCCCCNC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C15H25N3O/c1-2-3-4-5-6-7-10-17-15(19)11-14-9-8-13(16)12-18-14/h8-9,12H,2-7,10-11,16H2,1H3,(H,17,19)
InChIKeyKIWWWHHLPXTGQE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.68
Rot. Bonds9

About 2-(5-amino-2-pyridinyl)-N-octylacetamide

2-(5-amino-2-pyridinyl)-N-octylacetamide (PubChem CID 107339440) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-octylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-octylacetamide
PubChem CID107339440
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(5-amino-2-pyridinyl)-N-octylacetamide
SMILESCCCCCCCCNC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C15H25N3O/c1-2-3-4-5-6-7-10-17-15(19)11-14-9-8-13(16)12-18-14/h8-9,12H,2-7,10-11,16H2,1H3,(H,17,19)
InChIKeyKIWWWHHLPXTGQE-UHFFFAOYSA-N
XLogP2.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(2-butoxyethyl)acetamide
CID 107338236
2-(5-amino-2-pyridinyl)-N-[3-(diethylamino)propyl]acetamide
CID 107337449
2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide
CID 107339670
2-(5-amino-2-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 107337331
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
2-(5-amino-2-pyridinyl)-N-(2-ethylhexyl)acetamide
CID 107338276
2-(5-amino-2-pyridinyl)-N-(2-methylbutyl)acetamide
CID 107338689
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 107339002
2-(5-amino-2-pyridinyl)-N-(2-cyclopropylethyl)acetamide;hydrochloride
CID 120633863
2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide
CID 114094154
2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 107338579
2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 107339282

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-octylacetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-octylacetamide (CID 107339440) is 2-(5-amino-2-pyridinyl)-N-octylacetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-octylacetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-octylacetamide is CCCCCCCCNC(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-octylacetamide?
The InChIKey is KIWWWHHLPXTGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-3-4-5-6-7-10-17-15(19)11-14-9-8-13(16)12-18-14/h8-9,12H,2-7,10-11,16H2,1H3,(H,17,19).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-octylacetamide?
2-(5-amino-2-pyridinyl)-N-octylacetamide has a molecular weight of 263.38 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-octylacetamide is sourced from PubChem (CID 107339440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).