3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide

C10H12FN3O2 — CID 107594990

IUPAC3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccncc2F)CCOC1
InChIInChI=1S/C10H12FN3O2/c11-7-5-13-3-1-8(7)14-9(15)10(12)2-4-16-6-10/h1,3,5H,2,4,6,12H2,(H,13,14,15)
InChIKeyICROBNVMTKYCKS-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.28
Rot. Bonds2

About 3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide

3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide (PubChem CID 107594990) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide
PubChem CID107594990
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccncc2F)CCOC1
InChIInChI=1S/C10H12FN3O2/c11-7-5-13-3-1-8(7)14-9(15)10(12)2-4-16-6-10/h1,3,5H,2,4,6,12H2,(H,13,14,15)
InChIKeyICROBNVMTKYCKS-UHFFFAOYSA-N
XLogP0.28
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide (CID 107594990) is 3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide is NC1(C(=O)Nc2ccncc2F)CCOC1.
What is the InChIKey of 3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide?
The InChIKey is ICROBNVMTKYCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-7-5-13-3-1-8(7)14-9(15)10(12)2-4-16-6-10/h1,3,5H,2,4,6,12H2,(H,13,14,15).
What are the key properties of 3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide?
3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide has a molecular weight of 225.22 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide is sourced from PubChem (CID 107594990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).