2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

C12H12F3N3O2 — CID 66611880

IUPAC2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NC(=O)C1CCC1
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)8-5-4-7(9(16)19)10(17-8)18-11(20)6-2-1-3-6/h4-6H,1-3H2,(H2,16,19)(H,17,18,20)
InChIKeyCXTJAJPVILBOAA-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.94
Rot. Bonds3

About 2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 66611880) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID66611880
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NC(=O)C1CCC1
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)8-5-4-7(9(16)19)10(17-8)18-11(20)6-2-1-3-6/h4-6H,1-3H2,(H2,16,19)(H,17,18,20)
InChIKeyCXTJAJPVILBOAA-UHFFFAOYSA-N
XLogP1.94
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 66611880) is 2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1NC(=O)C1CCC1.
What is the InChIKey of 2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CXTJAJPVILBOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c13-12(14,15)8-5-4-7(9(16)19)10(17-8)18-11(20)6-2-1-3-6/h4-6H,1-3H2,(H2,16,19)(H,17,18,20).
What are the key properties of 2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 287.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66611880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).