N-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide

C23H21N3O3 — CID 71616418

IUPACN-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide
SMILESCCNC(=O)c1ccc(Oc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C23H21N3O3/c1-3-24-22(27)15-9-10-20(29-16-7-5-4-6-8-16)18(13-15)19-14-26(2)23(28)21-17(19)11-12-25-21/h4-14,25H,3H2,1-2H3,(H,24,27)
InChIKeyCIFLXEVIBRCRMF-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.08
Rot. Bonds5

About N-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide

N-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide (PubChem CID 71616418) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide
PubChem CID71616418
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide
SMILESCCNC(=O)c1ccc(Oc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C23H21N3O3/c1-3-24-22(27)15-9-10-20(29-16-7-5-4-6-8-16)18(13-15)19-14-26(2)23(28)21-17(19)11-12-25-21/h4-14,25H,3H2,1-2H3,(H,24,27)
InChIKeyCIFLXEVIBRCRMF-UHFFFAOYSA-N
XLogP4.08
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide 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-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide?
The IUPAC name of N-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide (CID 71616418) is N-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide.
What is the SMILES notation for N-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide?
The canonical SMILES for N-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide is CCNC(=O)c1ccc(Oc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1.
What is the InChIKey of N-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide?
The InChIKey is CIFLXEVIBRCRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-3-24-22(27)15-9-10-20(29-16-7-5-4-6-8-16)18(13-15)19-14-26(2)23(28)21-17(19)11-12-25-21/h4-14,25H,3H2,1-2H3,(H,24,27).
What are the key properties of N-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide?
N-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide has a molecular weight of 387.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide is sourced from PubChem (CID 71616418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).