N-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C19H12F3N3O3 — CID 155464529

IUPACN-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2Oc2cnccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H12F3N3O3/c20-19(21,22)15-6-5-12(17(26)24-15)18(27)25-16-10-3-1-2-4-13(10)28-14-9-23-8-7-11(14)16/h1-9,16H,(H,24,26)(H,25,27)
InChIKeyFVBOBQMJWRXIBI-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.41
Rot. Bonds2

About N-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464529) has the molecular formula C19H12F3N3O3 and a molecular weight of 387.32 g/mol. Its IUPAC name is N-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464529
Molecular FormulaC19H12F3N3O3
Molecular Weight387.32 g/mol
Exact Mass387.08
IUPAC NameN-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2Oc2cnccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H12F3N3O3/c20-19(21,22)15-6-5-12(17(26)24-15)18(27)25-16-10-3-1-2-4-13(10)28-14-9-23-8-7-11(14)16/h1-9,16H,(H,24,26)(H,25,27)
InChIKeyFVBOBQMJWRXIBI-UHFFFAOYSA-N
XLogP3.41
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464529) is N-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1c2ccccc2Oc2cnccc21)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is FVBOBQMJWRXIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O3/c20-19(21,22)15-6-5-12(17(26)24-15)18(27)25-16-10-3-1-2-4-13(10)28-14-9-23-8-7-11(14)16/h1-9,16H,(H,24,26)(H,25,27).
What are the key properties of N-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 387.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).