4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide

C22H13F3N2O4 — CID 58477365

IUPAC4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2c(=O)cc(-c3cccc(OC(F)(F)F)c3)oc12
InChIInChI=1S/C22H13F3N2O4/c23-22(24,25)31-14-6-3-5-13(11-14)18-12-17(28)15-7-4-8-16(20(15)30-18)21(29)27-19-9-1-2-10-26-19/h1-12H,(H,26,27,29)
InChIKeyZNJUIFOUGJHPKL-UHFFFAOYSA-N
MW426.35 g/mol
LogP5.01
Rot. Bonds4

About 4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide

4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide (PubChem CID 58477365) has the molecular formula C22H13F3N2O4 and a molecular weight of 426.35 g/mol. Its IUPAC name is 4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide.

Molecular Properties

Compound Name4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide
PubChem CID58477365
Molecular FormulaC22H13F3N2O4
Molecular Weight426.35 g/mol
Exact Mass426.08
IUPAC Name4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2c(=O)cc(-c3cccc(OC(F)(F)F)c3)oc12
InChIInChI=1S/C22H13F3N2O4/c23-22(24,25)31-14-6-3-5-13(11-14)18-12-17(28)15-7-4-8-16(20(15)30-18)21(29)27-19-9-1-2-10-26-19/h1-12H,(H,26,27,29)
InChIKeyZNJUIFOUGJHPKL-UHFFFAOYSA-N
XLogP5.01
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.35
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide
CID 58154775
7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 135631507
2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-3-carboxamide
CID 76798297
4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
CID 10574284
3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide
CID 178030034
methyl 5-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791532
2-(3-propan-2-yloxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 2220820
2-(3-ethoxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 1011517
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
CID 58154708
N-pyridin-2-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 25332101
2-[2-(difluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-4-oxochromene-8-carboxamide
CID 58477234

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide?
The IUPAC name of 4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide (CID 58477365) is 4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide.
What is the SMILES notation for 4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide?
The canonical SMILES for 4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide is O=C(Nc1ccccn1)c1cccc2c(=O)cc(-c3cccc(OC(F)(F)F)c3)oc12.
What is the InChIKey of 4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide?
The InChIKey is ZNJUIFOUGJHPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N2O4/c23-22(24,25)31-14-6-3-5-13(11-14)18-12-17(28)15-7-4-8-16(20(15)30-18)21(29)27-19-9-1-2-10-26-19/h1-12H,(H,26,27,29).
What are the key properties of 4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide?
4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide has a molecular weight of 426.35 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide is sourced from PubChem (CID 58477365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).