N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide

C10H14FN3O — CID 104953358

IUPACN-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cncc(F)c1
InChIInChI=1S/C10H14FN3O/c1-8(15)14-3-2-12-5-9-4-10(11)7-13-6-9/h4,6-7,12H,2-3,5H2,1H3,(H,14,15)
InChIKeyKPKDZTGVOQRMLB-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.45
Rot. Bonds5

About N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide

N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide (PubChem CID 104953358) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide
PubChem CID104953358
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC NameN-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cncc(F)c1
InChIInChI=1S/C10H14FN3O/c1-8(15)14-3-2-12-5-9-4-10(11)7-13-6-9/h4,6-7,12H,2-3,5H2,1H3,(H,14,15)
InChIKeyKPKDZTGVOQRMLB-UHFFFAOYSA-N
XLogP0.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.45
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide (CID 104953358) is N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide is CC(=O)NCCNCc1cncc(F)c1.
What is the InChIKey of N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide?
The InChIKey is KPKDZTGVOQRMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-8(15)14-3-2-12-5-9-4-10(11)7-13-6-9/h4,6-7,12H,2-3,5H2,1H3,(H,14,15).
What are the key properties of N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide?
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide has a molecular weight of 211.24 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide is sourced from PubChem (CID 104953358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).