N-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C17H14F3N3O2 — CID 155464258

IUPACN-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2[nH]c(C)c(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)c2c1
InChIInChI=1S/C17H14F3N3O2/c1-8-3-5-12-11(7-8)14(9(2)21-12)23-16(25)10-4-6-13(17(18,19)20)22-15(10)24/h3-7,21H,1-2H3,(H,22,24)(H,23,25)
InChIKeyXPSOKJHVUKLSNO-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.74
Rot. Bonds2

About N-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464258) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464258
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC NameN-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2[nH]c(C)c(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)c2c1
InChIInChI=1S/C17H14F3N3O2/c1-8-3-5-12-11(7-8)14(9(2)21-12)23-16(25)10-4-6-13(17(18,19)20)22-15(10)24/h3-7,21H,1-2H3,(H,22,24)(H,23,25)
InChIKeyXPSOKJHVUKLSNO-UHFFFAOYSA-N
XLogP3.74
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464258) is N-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc2[nH]c(C)c(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)c2c1.
What is the InChIKey of N-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is XPSOKJHVUKLSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-8-3-5-12-11(7-8)14(9(2)21-12)23-16(25)10-4-6-13(17(18,19)20)22-15(10)24/h3-7,21H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 349.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-1H-indol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).