3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide

C20H20N4O2 — CID 171820241

IUPAC3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cc(C(N)=O)nc2c1c(C#N)cn2C(C)C
InChIInChI=1S/C20H20N4O2/c1-10(2)24-9-13(8-21)18-14(7-15(19(22)26)23-20(18)24)17-11(3)5-6-16(25)12(17)4/h5-7,9-10,25H,1-4H3,(H2,22,26)
InChIKeyOAWZIGNIYSPVKT-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.58
Rot. Bonds3

About 3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide

3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 171820241) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID171820241
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cc(C(N)=O)nc2c1c(C#N)cn2C(C)C
InChIInChI=1S/C20H20N4O2/c1-10(2)24-9-13(8-21)18-14(7-15(19(22)26)23-20(18)24)17-11(3)5-6-16(25)12(17)4/h5-7,9-10,25H,1-4H3,(H2,22,26)
InChIKeyOAWZIGNIYSPVKT-UHFFFAOYSA-N
XLogP3.58
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide (CID 171820241) is 3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide is Cc1ccc(O)c(C)c1-c1cc(C(N)=O)nc2c1c(C#N)cn2C(C)C.
What is the InChIKey of 3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is OAWZIGNIYSPVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-10(2)24-9-13(8-21)18-14(7-15(19(22)26)23-20(18)24)17-11(3)5-6-16(25)12(17)4/h5-7,9-10,25H,1-4H3,(H2,22,26).
What are the key properties of 3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide?
3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 171820241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).