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

C22H19N3O3 — CID 71616302

IUPACN-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C22H19N3O3/c1-14(26)24-15-8-9-20(28-16-6-4-3-5-7-16)18(12-15)19-13-25(2)22(27)21-17(19)10-11-23-21/h3-13,23H,1-2H3,(H,24,26)
InChIKeyLSWNHXHXFDIKEX-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.28
Rot. Bonds4

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

N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]acetamide (PubChem CID 71616302) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]acetamide
PubChem CID71616302
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C22H19N3O3/c1-14(26)24-15-8-9-20(28-16-6-4-3-5-7-16)18(12-15)19-13-25(2)22(27)21-17(19)10-11-23-21/h3-13,23H,1-2H3,(H,24,26)
InChIKeyLSWNHXHXFDIKEX-UHFFFAOYSA-N
XLogP4.28
TPSA76.12 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 ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Ethyl-4-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(1-hydroxy-1-methylethyl)phenyl)-6,7-dihydro-6-methyl-7-oxo-1H-pyrrolo(2,3-c)pyridine-2-carboxamide
CID 132010322
Mivebresib
CID 71600087
6-Methyl-4-(2-Phenoxyphenyl)-1,6-Dihydro-7h-Pyrrolo[2,3-C]pyridin-7-One
CID 71616297
N-[3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)-4-Phenoxyphenyl]methanesulfonamide
CID 71616300
N-[4-(2,4-Difluorophenoxy)-3-(1-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-3-Yl)phenyl]ethanesulfonamide
CID 86287690
N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide
CID 139341527
3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11750460
N-[5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide
CID 71615944
N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]ethanesulfonamide
CID 71616053
4-[5-(dimethylsulfamoylamino)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine
CID 71616054
N-[4-(4,4-difluorocyclohexyl)oxy-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]methanesulfonamide
CID 71617461
N-[4-cyclohexyloxy-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]methanesulfonamide
CID 71617462

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]acetamide?
The IUPAC name of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]acetamide (CID 71616302) is N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]acetamide?
The canonical SMILES for N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1.
What is the InChIKey of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]acetamide?
The InChIKey is LSWNHXHXFDIKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14(26)24-15-8-9-20(28-16-6-4-3-5-7-16)18(12-15)19-13-25(2)22(27)21-17(19)10-11-23-21/h3-13,23H,1-2H3,(H,24,26).
What are the key properties of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]acetamide?
N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]acetamide has a molecular weight of 373.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]acetamide is sourced from PubChem (CID 71616302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).