3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide

C20H20N4O2 — CID 171820047

IUPAC3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCCn1cc(C#N)c2c(-c3c(C)ccc(OC)c3C)cc(C(N)=O)nc21
InChIInChI=1S/C20H20N4O2/c1-5-24-10-13(9-21)18-14(8-15(19(22)25)23-20(18)24)17-11(2)6-7-16(26-4)12(17)3/h6-8,10H,5H2,1-4H3,(H2,22,25)
InChIKeyBXXQEJUHCDPSLI-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.32
Rot. Bonds4

About 3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide

3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 171820047) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID171820047
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCCn1cc(C#N)c2c(-c3c(C)ccc(OC)c3C)cc(C(N)=O)nc21
InChIInChI=1S/C20H20N4O2/c1-5-24-10-13(9-21)18-14(8-15(19(22)25)23-20(18)24)17-11(2)6-7-16(26-4)12(17)3/h6-8,10H,5H2,1-4H3,(H2,22,25)
InChIKeyBXXQEJUHCDPSLI-UHFFFAOYSA-N
XLogP3.32
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 171820241
methyl 4-bromo-3-cyano-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate
CID 171820325
5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 171819982
5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 171820164
3-cyano-6-methoxy-2-methylbenzamide
CID 171026852
3-cyano-2-formyl-6-methoxybenzamide
CID 171013227
4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide
CID 171820302
5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide
CID 171819848
methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate
CID 171820196
5-[4-cyano-5-(3-methoxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrimidine-2-carboxamide
CID 177130218
diethyl 7-benzyl-5-cyanopyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate
CID 11036225
4-cyano-5-methoxy-2-methylbenzamide
CID 171031371

Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide (CID 171820047) is 3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide is CCn1cc(C#N)c2c(-c3c(C)ccc(OC)c3C)cc(C(N)=O)nc21.
What is the InChIKey of 3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is BXXQEJUHCDPSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-5-24-10-13(9-21)18-14(8-15(19(22)25)23-20(18)24)17-11(2)6-7-16(26-4)12(17)3/h6-8,10H,5H2,1-4H3,(H2,22,25).
What are the key properties of 3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 171820047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).