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

C23H21FN2O2 — CID 121363793

IUPAC6-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESCCC1Oc2cnccc2-c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc21
InChIInChI=1S/C23H21FN2O2/c1-3-21-20-12-16(6-9-18(20)19-10-11-25-13-22(19)28-21)23(27)26-14(2)15-4-7-17(24)8-5-15/h4-14,21H,3H2,1-2H3,(H,26,27)/t14-,21?/m1/s1
InChIKeyUKUINOGBGAREBZ-CKAQCJTGSA-N
MW376.43 g/mol
LogP5.22
Rot. Bonds4

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

6-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363793) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 6-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363793
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name6-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESCCC1Oc2cnccc2-c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc21
InChIInChI=1S/C23H21FN2O2/c1-3-21-20-12-16(6-9-18(20)19-10-11-25-13-22(19)28-21)23(27)26-14(2)15-4-7-17(24)8-5-15/h4-14,21H,3H2,1-2H3,(H,26,27)/t14-,21?/m1/s1
InChIKeyUKUINOGBGAREBZ-CKAQCJTGSA-N
XLogP5.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 118414671
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CID 121363591
CID 121363591
CID 9982348
CID 9982348
CID 10051189
CID 10051189
CID 10389076
CID 10389076
CID 10480657
CID 10480657
CID 10576114
CID 10576114
CID 10839225
CID 10839225
CID 25130181
CID 25130181

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of 6-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (CID 121363793) is 6-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for 6-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for 6-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is CCC1Oc2cnccc2-c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc21.
What is the InChIKey of 6-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is UKUINOGBGAREBZ-CKAQCJTGSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-3-21-20-12-16(6-9-18(20)19-10-11-25-13-22(19)28-21)23(27)26-14(2)15-4-7-17(24)8-5-15/h4-14,21H,3H2,1-2H3,(H,26,27)/t14-,21?/m1/s1.
What are the key properties of 6-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
6-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).