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

C21H17N3O3 — CID 71616055

IUPAC3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide
SMILESCn1cc(-c2cc(C(N)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C21H17N3O3/c1-24-12-17(15-9-10-23-19(15)21(24)26)16-11-13(20(22)25)7-8-18(16)27-14-5-3-2-4-6-14/h2-12,23H,1H3,(H2,22,25)
InChIKeyCSZKWGRFCCGFSN-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.42
Rot. Bonds4

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

3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide (PubChem CID 71616055) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide.

Molecular Properties

Compound Name3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide
PubChem CID71616055
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide
SMILESCn1cc(-c2cc(C(N)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C21H17N3O3/c1-24-12-17(15-9-10-23-19(15)21(24)26)16-11-13(20(22)25)7-8-18(16)27-14-5-3-2-4-6-14/h2-12,23H,1H3,(H2,22,25)
InChIKeyCSZKWGRFCCGFSN-UHFFFAOYSA-N
XLogP3.42
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Mivebresib
CID 71600087
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
5-(4-((Phenethylamino)methyl)phenoxy)picolinamide
CID 44434951
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
Pyrrolopyridine, 29
CID 16720207
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-[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 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide?
The IUPAC name of 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide (CID 71616055) is 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide.
What is the SMILES notation for 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide?
The canonical SMILES for 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide is Cn1cc(-c2cc(C(N)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O.
What is the InChIKey of 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide?
The InChIKey is CSZKWGRFCCGFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-24-12-17(15-9-10-23-19(15)21(24)26)16-11-13(20(22)25)7-8-18(16)27-14-5-3-2-4-6-14/h2-12,23H,1H3,(H2,22,25).
What are the key properties of 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide?
3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide has a molecular weight of 359.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide is sourced from PubChem (CID 71616055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).