N-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide

C12H16FN3O2 — CID 23227066

IUPACN-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(OCC2CCCN2)cnc1F
InChIInChI=1S/C12H16FN3O2/c1-8(17)16-11-5-10(6-15-12(11)13)18-7-9-3-2-4-14-9/h5-6,9,14H,2-4,7H2,1H3,(H,16,17)
InChIKeyVEBSKENDUAXNMF-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.31
Rot. Bonds4

About N-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide

N-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide (PubChem CID 23227066) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide
PubChem CID23227066
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(OCC2CCCN2)cnc1F
InChIInChI=1S/C12H16FN3O2/c1-8(17)16-11-5-10(6-15-12(11)13)18-7-9-3-2-4-14-9/h5-6,9,14H,2-4,7H2,1H3,(H,16,17)
InChIKeyVEBSKENDUAXNMF-UHFFFAOYSA-N
XLogP1.31
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide?
The IUPAC name of N-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide (CID 23227066) is N-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide is CC(=O)Nc1cc(OCC2CCCN2)cnc1F.
What is the InChIKey of N-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide?
The InChIKey is VEBSKENDUAXNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-8(17)16-11-5-10(6-15-12(11)13)18-7-9-3-2-4-14-9/h5-6,9,14H,2-4,7H2,1H3,(H,16,17).
What are the key properties of N-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide?
N-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide has a molecular weight of 253.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 23227066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).