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

C24H23N3O3 — CID 121363547

IUPACN-[[3-(ethylcarbamoyl)phenyl]methyl]-6-methyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(C)Oc2cnccc2-3)c1
InChIInChI=1S/C24H23N3O3/c1-3-26-23(28)17-6-4-5-16(11-17)13-27-24(29)18-7-8-19-20-9-10-25-14-22(20)30-15(2)21(19)12-18/h4-12,14-15H,3,13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyLWBVQGQTGHIORB-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.88
Rot. Bonds5

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

N-[[3-(ethylcarbamoyl)phenyl]methyl]-6-methyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363547) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[[3-(ethylcarbamoyl)phenyl]methyl]-6-methyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[3-(ethylcarbamoyl)phenyl]methyl]-6-methyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363547
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[[3-(ethylcarbamoyl)phenyl]methyl]-6-methyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(C)Oc2cnccc2-3)c1
InChIInChI=1S/C24H23N3O3/c1-3-26-23(28)17-6-4-5-16(11-17)13-27-24(29)18-7-8-19-20-9-10-25-14-22(20)30-15(2)21(19)12-18/h4-12,14-15H,3,13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyLWBVQGQTGHIORB-UHFFFAOYSA-N
XLogP3.88
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]-6-methyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]-6-methyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide (CID 121363547) is N-[[3-(ethylcarbamoyl)phenyl]methyl]-6-methyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[[3-(ethylcarbamoyl)phenyl]methyl]-6-methyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[[3-(ethylcarbamoyl)phenyl]methyl]-6-methyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide is CCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(C)Oc2cnccc2-3)c1.
What is the InChIKey of N-[[3-(ethylcarbamoyl)phenyl]methyl]-6-methyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is LWBVQGQTGHIORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-3-26-23(28)17-6-4-5-16(11-17)13-27-24(29)18-7-8-19-20-9-10-25-14-22(20)30-15(2)21(19)12-18/h4-12,14-15H,3,13H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[[3-(ethylcarbamoyl)phenyl]methyl]-6-methyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
N-[[3-(ethylcarbamoyl)phenyl]methyl]-6-methyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylcarbamoyl)phenyl]methyl]-6-methyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).