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

C22H19N3O3 — CID 129159105

IUPACN-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)COc2cnccc2-3)c1
InChIInChI=1S/C22H19N3O3/c1-23-21(26)15-4-2-3-14(9-15)11-25-22(27)16-5-6-18-17(10-16)13-28-20-12-24-8-7-19(18)20/h2-10,12H,11,13H2,1H3,(H,23,26)(H,25,27)
InChIKeyUYQVTFFVWVLMAA-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.93
Rot. Bonds4

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

N-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 129159105) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
PubChem CID129159105
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)COc2cnccc2-3)c1
InChIInChI=1S/C22H19N3O3/c1-23-21(26)15-4-2-3-14(9-15)11-25-22(27)16-5-6-18-17(10-16)13-28-20-12-24-8-7-19(18)20/h2-10,12H,11,13H2,1H3,(H,23,26)(H,25,27)
InChIKeyUYQVTFFVWVLMAA-UHFFFAOYSA-N
XLogP2.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (CID 129159105) is N-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is CNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)COc2cnccc2-3)c1.
What is the InChIKey of N-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is UYQVTFFVWVLMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-23-21(26)15-4-2-3-14(9-15)11-25-22(27)16-5-6-18-17(10-16)13-28-20-12-24-8-7-19(18)20/h2-10,12H,11,13H2,1H3,(H,23,26)(H,25,27).
What are the key properties of N-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
N-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylcarbamoyl)phenyl]methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 129159105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).