N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

C15H15F3N4O2 — CID 136565682

IUPACN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCn1nc2c(c1NC(=O)c1c[nH]c(=O)c(C(F)(F)F)c1)CCCC2
InChIInChI=1S/C15H15F3N4O2/c1-22-12(9-4-2-3-5-11(9)21-22)20-13(23)8-6-10(15(16,17)18)14(24)19-7-8/h6-7H,2-5H2,1H3,(H,19,24)(H,20,23)
InChIKeyNEBYVICKMGAZDM-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.26
Rot. Bonds2

About N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 136565682) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID136565682
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCn1nc2c(c1NC(=O)c1c[nH]c(=O)c(C(F)(F)F)c1)CCCC2
InChIInChI=1S/C15H15F3N4O2/c1-22-12(9-4-2-3-5-11(9)21-22)20-13(23)8-6-10(15(16,17)18)14(24)19-7-8/h6-7H,2-5H2,1H3,(H,19,24)(H,20,23)
InChIKeyNEBYVICKMGAZDM-UHFFFAOYSA-N
XLogP2.26
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 136565682) is N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cn1nc2c(c1NC(=O)c1c[nH]c(=O)c(C(F)(F)F)c1)CCCC2.
What is the InChIKey of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is NEBYVICKMGAZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-22-12(9-4-2-3-5-11(9)21-22)20-13(23)8-6-10(15(16,17)18)14(24)19-7-8/h6-7H,2-5H2,1H3,(H,19,24)(H,20,23).
What are the key properties of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 136565682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).