N-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C17H11F3N2O3 — CID 155464347

IUPACN-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC1=C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2C1=O
InChIInChI=1S/C17H11F3N2O3/c1-8-13(9-4-2-3-5-10(9)14(8)23)22-16(25)11-6-7-12(17(18,19)20)21-15(11)24/h2-7H,1H3,(H,21,24)(H,22,25)
InChIKeyYVVRXFWWBCZFKA-UHFFFAOYSA-N
MW348.28 g/mol
LogP2.75
Rot. Bonds2

About N-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464347) has the molecular formula C17H11F3N2O3 and a molecular weight of 348.28 g/mol. Its IUPAC name is N-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464347
Molecular FormulaC17H11F3N2O3
Molecular Weight348.28 g/mol
Exact Mass348.07
IUPAC NameN-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC1=C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2C1=O
InChIInChI=1S/C17H11F3N2O3/c1-8-13(9-4-2-3-5-10(9)14(8)23)22-16(25)11-6-7-12(17(18,19)20)21-15(11)24/h2-7H,1H3,(H,21,24)(H,22,25)
InChIKeyYVVRXFWWBCZFKA-UHFFFAOYSA-N
XLogP2.75
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1H-indeno[1,2-b]pyridine-2,5-dione
CID 457731
N-(1,2-dihydro-1,2-dioxonaphthalen-4-yl)acetamide
CID 14856697
N-(5-methyl-3-oxocyclohexen-1-yl)-2-(trifluoromethyl)benzamide
CID 168285506
N-(1,2-dihydro-1,2-dioxonaphthalen-4-yl)hexanamide
CID 76309426
N-(1,2-dihydro-1,2-dioxonaphthalen-4-yl)-3-methylbutanamide
CID 76324000
N-(1,2-dihydro-1,2-dioxonaphthalen-4-yl)butyramide
CID 76327553
Propanamide, N-(3,4-dihydro-3,4-dioxo-1-naphthalenyl)-
CID 76331224
N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylbenzamide
CID 16348927
N-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide
CID 134387047
N-(3-oxo-5-propan-2-ylcyclohexen-1-yl)-4-(trifluoromethyl)benzamide
CID 168288034
N-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464337
N-(6-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464674

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464347) is N-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC1=C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is YVVRXFWWBCZFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O3/c1-8-13(9-4-2-3-5-10(9)14(8)23)22-16(25)11-6-7-12(17(18,19)20)21-15(11)24/h2-7H,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 348.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).