3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide

C11H12F3N3O2 — CID 82817640

IUPAC3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccc(C(F)(F)F)nc2)CCOC1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-2-1-7(5-16-8)17-9(18)10(15)3-4-19-6-10/h1-2,5H,3-4,6,15H2,(H,17,18)
InChIKeyPQMNRKYZNGZNFW-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.16
Rot. Bonds2

About 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide

3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide (PubChem CID 82817640) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide
PubChem CID82817640
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccc(C(F)(F)F)nc2)CCOC1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-2-1-7(5-16-8)17-9(18)10(15)3-4-19-6-10/h1-2,5H,3-4,6,15H2,(H,17,18)
InChIKeyPQMNRKYZNGZNFW-UHFFFAOYSA-N
XLogP1.16
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide (CID 82817640) is 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide is NC1(C(=O)Nc2ccc(C(F)(F)F)nc2)CCOC1.
What is the InChIKey of 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide?
The InChIKey is PQMNRKYZNGZNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)8-2-1-7(5-16-8)17-9(18)10(15)3-4-19-6-10/h1-2,5H,3-4,6,15H2,(H,17,18).
What are the key properties of 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide?
3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide has a molecular weight of 275.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide is sourced from PubChem (CID 82817640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).