N-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C24H21F3N2O2 — CID 155464907

IUPACN-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCc1ccc2c(c1)-c1cc(CC)ccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C24H21F3N2O2/c1-3-13-5-7-15-18(11-13)19-12-14(4-2)6-8-16(19)21(15)29-23(31)17-9-10-20(24(25,26)27)28-22(17)30/h5-12,21H,3-4H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyGIYLPMNTYCCOQD-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.02
Rot. Bonds4

About N-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464907) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464907
Molecular FormulaC24H21F3N2O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC NameN-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCc1ccc2c(c1)-c1cc(CC)ccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C24H21F3N2O2/c1-3-13-5-7-15-18(11-13)19-12-14(4-2)6-8-16(19)21(15)29-23(31)17-9-10-20(24(25,26)27)28-22(17)30/h5-12,21H,3-4H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyGIYLPMNTYCCOQD-UHFFFAOYSA-N
XLogP5.02
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-Tert-butylphenyl)-2-(indan-2-ylamino)ethyl]-3-(trifluoromethyl)pyridin-2-one
CID 45114297
N-[(3,4-dimethylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 42940979
N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464238
N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464240
N-[bis(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464242
N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464246
N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464267
N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464270
N-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464280
2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464292
N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464343
2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464357

Frequently Asked Questions

What is the IUPAC name of N-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464907) is N-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCc1ccc2c(c1)-c1cc(CC)ccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GIYLPMNTYCCOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c1-3-13-5-7-15-18(11-13)19-12-14(4-2)6-8-16(19)21(15)29-23(31)17-9-10-20(24(25,26)27)28-22(17)30/h5-12,21H,3-4H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-diethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).