5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide

C12H14F3N3O2 — CID 82817476

IUPAC5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)Nc2ccc(C(F)(F)F)nc2)O1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)10-4-1-7(6-17-10)18-11(19)9-3-2-8(5-16)20-9/h1,4,6,8-9H,2-3,5,16H2,(H,18,19)
InChIKeyONBVANPSJSBYDM-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.55
Rot. Bonds3

About 5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide

5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide (PubChem CID 82817476) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide
PubChem CID82817476
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)Nc2ccc(C(F)(F)F)nc2)O1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)10-4-1-7(6-17-10)18-11(19)9-3-2-8(5-16)20-9/h1,4,6,8-9H,2-3,5,16H2,(H,18,19)
InChIKeyONBVANPSJSBYDM-UHFFFAOYSA-N
XLogP1.55
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide (CID 82817476) is 5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide is NCC1CCC(C(=O)Nc2ccc(C(F)(F)F)nc2)O1.
What is the InChIKey of 5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide?
The InChIKey is ONBVANPSJSBYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)10-4-1-7(6-17-10)18-11(19)9-3-2-8(5-16)20-9/h1,4,6,8-9H,2-3,5,16H2,(H,18,19).
What are the key properties of 5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide?
5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 82817476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).