N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide

C21H17FN2O2 — CID 121363769

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)COc1cnccc1-2)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O2/c1-13(14-2-5-17(22)6-3-14)24-21(25)15-4-7-18-16(10-15)12-26-20-11-23-9-8-19(18)20/h2-11,13H,12H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyYRVQQKJWJWMLKB-CYBMUJFWSA-N
MW348.38 g/mol
LogP4.27
Rot. Bonds3

About N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363769) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363769
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)COc1cnccc1-2)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O2/c1-13(14-2-5-17(22)6-3-14)24-21(25)15-4-7-18-16(10-15)12-26-20-11-23-9-8-19(18)20/h2-11,13H,12H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyYRVQQKJWJWMLKB-CYBMUJFWSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (CID 121363769) is N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is C[C@@H](NC(=O)c1ccc2c(c1)COc1cnccc1-2)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is YRVQQKJWJWMLKB-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-13(14-2-5-17(22)6-3-14)24-21(25)15-4-7-18-16(10-15)12-26-20-11-23-9-8-19(18)20/h2-11,13H,12H2,1H3,(H,24,25)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).