N-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C21H15F3N2O2 — CID 121363529

IUPACN-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)18-4-2-1-3-14(18)11-26-20(27)13-5-6-17-16-7-8-25-10-15(16)12-28-19(17)9-13/h1-10H,11-12H2,(H,26,27)
InChIKeyZGNWQROPPLXDPK-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.59
Rot. Bonds3

About N-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363529) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363529
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)18-4-2-1-3-14(18)11-26-20(27)13-5-6-17-16-7-8-25-10-15(16)12-28-19(17)9-13/h1-10H,11-12H2,(H,26,27)
InChIKeyZGNWQROPPLXDPK-UHFFFAOYSA-N
XLogP4.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363529) is N-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is ZGNWQROPPLXDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c22-21(23,24)18-4-2-1-3-14(18)11-26-20(27)13-5-6-17-16-7-8-25-10-15(16)12-28-19(17)9-13/h1-10H,11-12H2,(H,26,27).
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).