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

C22H25N3O2 — CID 121335247

IUPAC3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide
SMILESCc1cc2c(-c3c(C)ccc(C(N)=O)c3C)cn(CCC3CC3)c(=O)c2[nH]1
InChIInChI=1S/C22H25N3O2/c1-12-4-7-16(21(23)26)14(3)19(12)18-11-25(9-8-15-5-6-15)22(27)20-17(18)10-13(2)24-20/h4,7,10-11,15,24H,5-6,8-9H2,1-3H3,(H2,23,26)
InChIKeyZLDGSPKWDUJCPM-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.82
Rot. Bonds5

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

3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide (PubChem CID 121335247) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide
PubChem CID121335247
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide
SMILESCc1cc2c(-c3c(C)ccc(C(N)=O)c3C)cn(CCC3CC3)c(=O)c2[nH]1
InChIInChI=1S/C22H25N3O2/c1-12-4-7-16(21(23)26)14(3)19(12)18-11-25(9-8-15-5-6-15)22(27)20-17(18)10-13(2)24-20/h4,7,10-11,15,24H,5-6,8-9H2,1-3H3,(H2,23,26)
InChIKeyZLDGSPKWDUJCPM-UHFFFAOYSA-N
XLogP3.82
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide with MolForge

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Related Compounds

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CID 145081408
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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide?
The IUPAC name of 3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide (CID 121335247) is 3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide.
What is the SMILES notation for 3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide?
The canonical SMILES for 3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide is Cc1cc2c(-c3c(C)ccc(C(N)=O)c3C)cn(CCC3CC3)c(=O)c2[nH]1.
What is the InChIKey of 3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide?
The InChIKey is ZLDGSPKWDUJCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-12-4-7-16(21(23)26)14(3)19(12)18-11-25(9-8-15-5-6-15)22(27)20-17(18)10-13(2)24-20/h4,7,10-11,15,24H,5-6,8-9H2,1-3H3,(H2,23,26).
What are the key properties of 3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide?
3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide has a molecular weight of 363.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-cyclopropylethyl)-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-2,4-dimethylbenzamide is sourced from PubChem (CID 121335247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).