N-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C21H16F2N2O2 — CID 121363620

IUPACN-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)OCc1cnccc1-2)c1cc(F)cc(F)c1
InChIInChI=1S/C21H16F2N2O2/c1-12(14-6-16(22)9-17(23)7-14)25-21(26)13-2-3-19-18-4-5-24-10-15(18)11-27-20(19)8-13/h2-10,12H,11H2,1H3,(H,25,26)
InChIKeyVKZQFFNPVMOLHO-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.41
Rot. Bonds3

About N-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363620) has the molecular formula C21H16F2N2O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363620
Molecular FormulaC21H16F2N2O2
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)OCc1cnccc1-2)c1cc(F)cc(F)c1
InChIInChI=1S/C21H16F2N2O2/c1-12(14-6-16(22)9-17(23)7-14)25-21(26)13-2-3-19-18-4-5-24-10-15(18)11-27-20(19)8-13/h2-10,12H,11H2,1H3,(H,25,26)
InChIKeyVKZQFFNPVMOLHO-UHFFFAOYSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363620) is N-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is CC(NC(=O)c1ccc2c(c1)OCc1cnccc1-2)c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is VKZQFFNPVMOLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2/c1-12(14-6-16(22)9-17(23)7-14)25-21(26)13-2-3-19-18-4-5-24-10-15(18)11-27-20(19)8-13/h2-10,12H,11H2,1H3,(H,25,26).
What are the key properties of N-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).