2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide

C20H13F3N2O3 — CID 155464367

IUPAC2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2Oc2ccccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H13F3N2O3/c21-20(22,23)16-10-9-13(18(26)24-16)19(27)25-17-11-5-1-3-7-14(11)28-15-8-4-2-6-12(15)17/h1-10,17H,(H,24,26)(H,25,27)
InChIKeyOWTDVXDCKPVWGQ-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.02
Rot. Bonds2

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

2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide (PubChem CID 155464367) has the molecular formula C20H13F3N2O3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide
PubChem CID155464367
Molecular FormulaC20H13F3N2O3
Molecular Weight386.33 g/mol
Exact Mass386.09
IUPAC Name2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2Oc2ccccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H13F3N2O3/c21-20(22,23)16-10-9-13(18(26)24-16)19(27)25-17-11-5-1-3-7-14(11)28-15-8-4-2-6-12(15)17/h1-10,17H,(H,24,26)(H,25,27)
InChIKeyOWTDVXDCKPVWGQ-UHFFFAOYSA-N
XLogP4.02
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide (CID 155464367) is 2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide is O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide?
The InChIKey is OWTDVXDCKPVWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O3/c21-20(22,23)16-10-9-13(18(26)24-16)19(27)25-17-11-5-1-3-7-14(11)28-15-8-4-2-6-12(15)17/h1-10,17H,(H,24,26)(H,25,27).
What are the key properties of 2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide?
2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide has a molecular weight of 386.33 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(trifluoromethyl)-N-(9H-xanthen-9-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).