2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide

C14H23N3O2 — CID 107338579

IUPAC2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide
SMILESCC(C)CCOCCNC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C14H23N3O2/c1-11(2)5-7-19-8-6-16-14(18)9-13-4-3-12(15)10-17-13/h3-4,10-11H,5-9,15H2,1-2H3,(H,16,18)
InChIKeyBAHYIBXYAJKFIQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.39
Rot. Bonds8

About 2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide

2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide (PubChem CID 107338579) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide
PubChem CID107338579
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide
SMILESCC(C)CCOCCNC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C14H23N3O2/c1-11(2)5-7-19-8-6-16-14(18)9-13-4-3-12(15)10-17-13/h3-4,10-11H,5-9,15H2,1-2H3,(H,16,18)
InChIKeyBAHYIBXYAJKFIQ-UHFFFAOYSA-N
XLogP1.39
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methylpropoxy)ethyl]acetamide
CID 107339726
2-(5-amino-2-pyridinyl)-N-(2-butoxyethyl)acetamide
CID 107338236
2-(5-amino-2-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 107337331
2-(5-amino-2-pyridinyl)-N-(3-methoxypropyl)acetamide
CID 107337559
2-(5-amino-2-pyridinyl)-N-octylacetamide
CID 107339440
2-(5-amino-2-pyridinyl)-N-(2-methylbutyl)acetamide
CID 107338689
4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide
CID 55041484
5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid
CID 107339460
2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide
CID 107339670
2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide
CID 107338684
2-(5-amino-2-pyridinyl)-N-[3-(diethylamino)propyl]acetamide
CID 107337449
2-(5-amino-2-pyridinyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 107338304

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide (CID 107338579) is 2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide is CC(C)CCOCCNC(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide?
The InChIKey is BAHYIBXYAJKFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)5-7-19-8-6-16-14(18)9-13-4-3-12(15)10-17-13/h3-4,10-11H,5-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide?
2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide is sourced from PubChem (CID 107338579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).