N-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C21H17FN2O2 — CID 121363797

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCc1ccc(F)cc1CNC(=O)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H17FN2O2/c1-13-2-4-17(22)8-15(13)11-24-21(25)14-3-5-19-18-6-7-23-10-16(18)12-26-20(19)9-14/h2-10H,11-12H2,1H3,(H,24,25)
InChIKeyWSCQDTIQXYKECZ-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.02
Rot. Bonds3

About N-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363797) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363797
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCc1ccc(F)cc1CNC(=O)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H17FN2O2/c1-13-2-4-17(22)8-15(13)11-24-21(25)14-3-5-19-18-6-7-23-10-16(18)12-26-20(19)9-14/h2-10H,11-12H2,1H3,(H,24,25)
InChIKeyWSCQDTIQXYKECZ-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363797) is N-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is Cc1ccc(F)cc1CNC(=O)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is WSCQDTIQXYKECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-13-2-4-17(22)8-15(13)11-24-21(25)14-3-5-19-18-6-7-23-10-16(18)12-26-20(19)9-14/h2-10H,11-12H2,1H3,(H,24,25).
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).