5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide

C20H11F3N2O3 — CID 1485832

IUPAC5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F
InChIInChI=1S/C20H11F3N2O3/c21-20(22,23)17-14(18(27)24-11-6-2-1-3-7-11)10-13-16(26)12-8-4-5-9-15(12)28-19(13)25-17/h1-10H,(H,24,27)
InChIKeyQEJBBELDFRRLJH-UHFFFAOYSA-N
MW384.31 g/mol
LogP4.61
Rot. Bonds2

About 5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide

5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide (PubChem CID 1485832) has the molecular formula C20H11F3N2O3 and a molecular weight of 384.31 g/mol. Its IUPAC name is 5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide
PubChem CID1485832
Molecular FormulaC20H11F3N2O3
Molecular Weight384.31 g/mol
Exact Mass384.07
IUPAC Name5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F
InChIInChI=1S/C20H11F3N2O3/c21-20(22,23)17-14(18(27)24-11-6-2-1-3-7-11)10-13-16(26)12-8-4-5-9-15(12)28-19(13)25-17/h1-10H,(H,24,27)
InChIKeyQEJBBELDFRRLJH-UHFFFAOYSA-N
XLogP4.61
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide (CID 1485832) is 5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide is O=C(Nc1ccccc1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F.
What is the InChIKey of 5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide?
The InChIKey is QEJBBELDFRRLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N2O3/c21-20(22,23)17-14(18(27)24-11-6-2-1-3-7-11)10-13-16(26)12-8-4-5-9-15(12)28-19(13)25-17/h1-10H,(H,24,27).
What are the key properties of 5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide?
5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide has a molecular weight of 384.31 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-phenyl-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 1485832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).