N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide

C11H13FN2O2 — CID 126777763

IUPACN-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)NCc2ccc(F)cn2)COC1
InChIInChI=1S/C11H13FN2O2/c1-11(6-16-7-11)10(15)14-5-9-3-2-8(12)4-13-9/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyFBALGKBROQXTFA-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.87
Rot. Bonds3

About N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide

N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide (PubChem CID 126777763) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide
PubChem CID126777763
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC NameN-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)NCc2ccc(F)cn2)COC1
InChIInChI=1S/C11H13FN2O2/c1-11(6-16-7-11)10(15)14-5-9-3-2-8(12)4-13-9/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyFBALGKBROQXTFA-UHFFFAOYSA-N
XLogP0.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide?
The IUPAC name of N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide (CID 126777763) is N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide is CC1(C(=O)NCc2ccc(F)cn2)COC1.
What is the InChIKey of N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide?
The InChIKey is FBALGKBROQXTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-11(6-16-7-11)10(15)14-5-9-3-2-8(12)4-13-9/h2-4H,5-7H2,1H3,(H,14,15).
What are the key properties of N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide?
N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 126777763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).