N-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide

C20H14F2N2O2 — CID 121363505

IUPACN-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc2c(c1)COc1cnccc1-2
InChIInChI=1S/C20H14F2N2O2/c21-15-5-12(6-16(22)8-15)9-24-20(25)13-1-2-17-14(7-13)11-26-19-10-23-4-3-18(17)19/h1-8,10H,9,11H2,(H,24,25)
InChIKeyQTPIUWJVOYBDMY-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.85
Rot. Bonds3

About N-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide

N-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363505) has the molecular formula C20H14F2N2O2 and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363505
Molecular FormulaC20H14F2N2O2
Molecular Weight352.34 g/mol
Exact Mass352.10
IUPAC NameN-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc2c(c1)COc1cnccc1-2
InChIInChI=1S/C20H14F2N2O2/c21-15-5-12(6-16(22)8-15)9-24-20(25)13-1-2-17-14(7-13)11-26-19-10-23-4-3-18(17)19/h1-8,10H,9,11H2,(H,24,25)
InChIKeyQTPIUWJVOYBDMY-UHFFFAOYSA-N
XLogP3.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (CID 121363505) is N-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1cc(F)cc(F)c1)c1ccc2c(c1)COc1cnccc1-2.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is QTPIUWJVOYBDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O2/c21-15-5-12(6-16(22)8-15)9-24-20(25)13-1-2-17-14(7-13)11-26-19-10-23-4-3-18(17)19/h1-8,10H,9,11H2,(H,24,25).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
N-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 352.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).