N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C19H12F3N3O4 — CID 155464303

IUPACN-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccncc2Oc2cc(O)ccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H12F3N3O4/c20-19(21,22)15-4-3-12(17(27)24-15)18(28)25-16-10-2-1-9(26)7-13(10)29-14-8-23-6-5-11(14)16/h1-8,16,26H,(H,24,27)(H,25,28)
InChIKeySJAIBEDCTHTIKF-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.12
Rot. Bonds2

About N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464303) has the molecular formula C19H12F3N3O4 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464303
Molecular FormulaC19H12F3N3O4
Molecular Weight403.32 g/mol
Exact Mass403.08
IUPAC NameN-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccncc2Oc2cc(O)ccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H12F3N3O4/c20-19(21,22)15-4-3-12(17(27)24-15)18(28)25-16-10-2-1-9(26)7-13(10)29-14-8-23-6-5-11(14)16/h1-8,16,26H,(H,24,27)(H,25,28)
InChIKeySJAIBEDCTHTIKF-UHFFFAOYSA-N
XLogP3.12
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464303) is N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1c2ccncc2Oc2cc(O)ccc21)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is SJAIBEDCTHTIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O4/c20-19(21,22)15-4-3-12(17(27)24-15)18(28)25-16-10-2-1-9(26)7-13(10)29-14-8-23-6-5-11(14)16/h1-8,16,26H,(H,24,27)(H,25,28).
What are the key properties of N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).