5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide

C11H14FN3O2 — CID 107595072

IUPAC5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)Nc2ccncc2F)O1
InChIInChI=1S/C11H14FN3O2/c12-8-6-14-4-3-9(8)15-11(16)10-2-1-7(5-13)17-10/h3-4,6-7,10H,1-2,5,13H2,(H,14,15,16)
InChIKeyDIEFADUHQQWGNN-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.67
Rot. Bonds3

About 5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide

5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide (PubChem CID 107595072) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide
PubChem CID107595072
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)Nc2ccncc2F)O1
InChIInChI=1S/C11H14FN3O2/c12-8-6-14-4-3-9(8)15-11(16)10-2-1-7(5-13)17-10/h3-4,6-7,10H,1-2,5,13H2,(H,14,15,16)
InChIKeyDIEFADUHQQWGNN-UHFFFAOYSA-N
XLogP0.67
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide (CID 107595072) is 5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide is NCC1CCC(C(=O)Nc2ccncc2F)O1.
What is the InChIKey of 5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide?
The InChIKey is DIEFADUHQQWGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-8-6-14-4-3-9(8)15-11(16)10-2-1-7(5-13)17-10/h3-4,6-7,10H,1-2,5,13H2,(H,14,15,16).
What are the key properties of 5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide?
5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide has a molecular weight of 239.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-fluoro-4-pyridinyl)oxolane-2-carboxamide is sourced from PubChem (CID 107595072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).