N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide

C17H15F3N6O — CID 59437532

IUPACN-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc2cc(C(F)(F)F)cc(NC3CCC3)n2n1)c1cccnc1
InChIInChI=1S/C17H15F3N6O/c18-17(19,20)11-7-13(22-12-4-1-5-12)26-14(8-11)23-16(25-26)24-15(27)10-3-2-6-21-9-10/h2-3,6-9,12,22H,1,4-5H2,(H,24,25,27)
InChIKeyCFMINYDFKQKCTR-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.36
Rot. Bonds4

About N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide

N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 59437532) has the molecular formula C17H15F3N6O and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
PubChem CID59437532
Molecular FormulaC17H15F3N6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC NameN-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc2cc(C(F)(F)F)cc(NC3CCC3)n2n1)c1cccnc1
InChIInChI=1S/C17H15F3N6O/c18-17(19,20)11-7-13(22-12-4-1-5-12)26-14(8-11)23-16(25-26)24-15(27)10-3-2-6-21-9-10/h2-3,6-9,12,22H,1,4-5H2,(H,24,25,27)
InChIKeyCFMINYDFKQKCTR-UHFFFAOYSA-N
XLogP3.36
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide (CID 59437532) is N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide is O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CCC3)n2n1)c1cccnc1.
What is the InChIKey of N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The InChIKey is CFMINYDFKQKCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O/c18-17(19,20)11-7-13(22-12-4-1-5-12)26-14(8-11)23-16(25-26)24-15(27)10-3-2-6-21-9-10/h2-3,6-9,12,22H,1,4-5H2,(H,24,25,27).
What are the key properties of N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59437532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).