N-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C20H17F3N2O3 — CID 155464337

IUPACN-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCC1=C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C20H17F3N2O3/c1-3-4-12-16(11-6-5-10(2)9-14(11)17(12)26)25-19(28)13-7-8-15(20(21,22)23)24-18(13)27/h5-9H,3-4H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyMLACXARNRLZKDO-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.84
Rot. Bonds4

About N-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464337) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464337
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC NameN-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCC1=C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C20H17F3N2O3/c1-3-4-12-16(11-6-5-10(2)9-14(11)17(12)26)25-19(28)13-7-8-15(20(21,22)23)24-18(13)27/h5-9H,3-4H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyMLACXARNRLZKDO-UHFFFAOYSA-N
XLogP3.84
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.84
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-(5-Methyl-3-oxo-1-cyclohexen-1-yl)-3-(trifluoromethyl)-benzamide
CID 164887490
N-(5-methyl-3-oxocyclohexen-1-yl)-2-(trifluoromethyl)benzamide
CID 168285506
N-(6-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464399
N-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464402
N-(1,2-dihydro-1,2-dioxonaphthalen-4-yl)hexanamide
CID 76309426
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 8243666
N-((1S,5R)-2-Acetyl-6,6-dimethyl-bicyclo[3.1.0]hex-2-en-3-yl)-4-trifluoromethyl-benzamide
CID 11901242
N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2,4-bis(propan-2-yl)benzamide
CID 41507157
N-(3-oxo-5-propan-2-ylcyclohexen-1-yl)-4-(trifluoromethyl)benzamide
CID 168288034
N-(2-methyl-3-oxoinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464347
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-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464337) is N-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCCC1=C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2C1=O.
What is the InChIKey of N-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is MLACXARNRLZKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-3-4-12-16(11-6-5-10(2)9-14(11)17(12)26)25-19(28)13-7-8-15(20(21,22)23)24-18(13)27/h5-9H,3-4H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-oxo-2-propylinden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).