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

C22H17F3N2O2 — CID 155464910

IUPACN-(3,6-dimethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)-c1cc(C)ccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C22H17F3N2O2/c1-11-3-5-13-16(9-11)17-10-12(2)4-6-14(17)19(13)27-21(29)15-7-8-18(22(23,24)25)26-20(15)28/h3-10,19H,1-2H3,(H,26,28)(H,27,29)
InChIKeyCTMSODZGSCQSFY-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.51
Rot. Bonds2

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

N-(3,6-dimethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464910) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-(3,6-dimethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464910
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC NameN-(3,6-dimethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)-c1cc(C)ccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C22H17F3N2O2/c1-11-3-5-13-16(9-11)17-10-12(2)4-6-14(17)19(13)27-21(29)15-7-8-18(22(23,24)25)26-20(15)28/h3-10,19H,1-2H3,(H,26,28)(H,27,29)
InChIKeyCTMSODZGSCQSFY-UHFFFAOYSA-N
XLogP4.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3,6-dimethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464910) is N-(3,6-dimethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3,6-dimethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3,6-dimethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc2c(c1)-c1cc(C)ccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(3,6-dimethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CTMSODZGSCQSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c1-11-3-5-13-16(9-11)17-10-12(2)4-6-14(17)19(13)27-21(29)15-7-8-18(22(23,24)25)26-20(15)28/h3-10,19H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(3,6-dimethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3,6-dimethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 398.38 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).