5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide

C11H14FN3O2 — CID 67622655

IUPAC5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide
SMILESCC(Oc1cnc(F)c(C(N)=O)c1)[C@@H]1CCN1
InChIInChI=1S/C11H14FN3O2/c1-6(9-2-3-14-9)17-7-4-8(11(13)16)10(12)15-5-7/h4-6,9,14H,2-3H2,1H3,(H2,13,16)/t6?,9-/m0/s1
InChIKeyKVCIZWIYPILVMT-HSOSERFQSA-N
MW239.25 g/mol
LogP0.45
Rot. Bonds4

About 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide

5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide (PubChem CID 67622655) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide
PubChem CID67622655
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide
SMILESCC(Oc1cnc(F)c(C(N)=O)c1)[C@@H]1CCN1
InChIInChI=1S/C11H14FN3O2/c1-6(9-2-3-14-9)17-7-4-8(11(13)16)10(12)15-5-7/h4-6,9,14H,2-3H2,1H3,(H2,13,16)/t6?,9-/m0/s1
InChIKeyKVCIZWIYPILVMT-HSOSERFQSA-N
XLogP0.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.45
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 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide?
The IUPAC name of 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide (CID 67622655) is 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide?
The canonical SMILES for 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide is CC(Oc1cnc(F)c(C(N)=O)c1)[C@@H]1CCN1.
What is the InChIKey of 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide?
The InChIKey is KVCIZWIYPILVMT-HSOSERFQSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-6(9-2-3-14-9)17-7-4-8(11(13)16)10(12)15-5-7/h4-6,9,14H,2-3H2,1H3,(H2,13,16)/t6?,9-/m0/s1.
What are the key properties of 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide?
5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide has a molecular weight of 239.25 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 67622655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).