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

C21H17FN2O2 — CID 121363600

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)OCc1cnccc1-2)c1cccc(F)c1
InChIInChI=1S/C21H17FN2O2/c1-13(14-3-2-4-17(22)9-14)24-21(25)15-5-6-19-18-7-8-23-11-16(18)12-26-20(19)10-15/h2-11,13H,12H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyOXLYHEUFXHRCQH-ZDUSSCGKSA-N
MW348.38 g/mol
LogP4.27
Rot. Bonds3

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

N-[(1S)-1-(3-fluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363600) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363600
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)OCc1cnccc1-2)c1cccc(F)c1
InChIInChI=1S/C21H17FN2O2/c1-13(14-3-2-4-17(22)9-14)24-21(25)15-5-6-19-18-7-8-23-11-16(18)12-26-20(19)10-15/h2-11,13H,12H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyOXLYHEUFXHRCQH-ZDUSSCGKSA-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-[(1S)-1-(3-fluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363600) is N-[(1S)-1-(3-fluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is C[C@H](NC(=O)c1ccc2c(c1)OCc1cnccc1-2)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is OXLYHEUFXHRCQH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-13(14-3-2-4-17(22)9-14)24-21(25)15-5-6-19-18-7-8-23-11-16(18)12-26-20(19)10-15/h2-11,13H,12H2,1H3,(H,24,25)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[(1S)-1-(3-fluorophenyl)ethyl]-5H-chromeno[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-[(1S)-1-(3-fluorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).