N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide

C24H14F6N2O3 — CID 12967341

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1oc(=O)c2ncccc2c1-c1ccccc1
InChIInChI=1S/C24H14F6N2O3/c25-23(26,27)15-9-13(10-16(11-15)24(28,29)30)12-32-21(33)20-18(14-5-2-1-3-6-14)17-7-4-8-31-19(17)22(34)35-20/h1-11H,12H2,(H,32,33)
InChIKeyMTXGLGPFQGKRFD-UHFFFAOYSA-N
MW492.38 g/mol
LogP5.82
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide (PubChem CID 12967341) has the molecular formula C24H14F6N2O3 and a molecular weight of 492.38 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide
PubChem CID12967341
Molecular FormulaC24H14F6N2O3
Molecular Weight492.38 g/mol
Exact Mass492.09
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1oc(=O)c2ncccc2c1-c1ccccc1
InChIInChI=1S/C24H14F6N2O3/c25-23(26,27)15-9-13(10-16(11-15)24(28,29)30)12-32-21(33)20-18(14-5-2-1-3-6-14)17-7-4-8-31-19(17)22(34)35-20/h1-11H,12H2,(H,32,33)
InChIKeyMTXGLGPFQGKRFD-UHFFFAOYSA-N
XLogP5.82
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.38
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide (CID 12967341) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide is O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1oc(=O)c2ncccc2c1-c1ccccc1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide?
The InChIKey is MTXGLGPFQGKRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6N2O3/c25-23(26,27)15-9-13(10-16(11-15)24(28,29)30)12-32-21(33)20-18(14-5-2-1-3-6-14)17-7-4-8-31-19(17)22(34)35-20/h1-11H,12H2,(H,32,33).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide has a molecular weight of 492.38 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 12967341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).