5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide

C18H19N5O3 — CID 171820275

IUPAC5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide
SMILESCCn1cc(C(N)=O)c2c(-c3cccc(O)c3C)c(N)c(C(N)=O)nc21
InChIInChI=1S/C18H19N5O3/c1-3-23-7-10(16(20)25)13-12(9-5-4-6-11(24)8(9)2)14(19)15(17(21)26)22-18(13)23/h4-7,24H,3,19H2,1-2H3,(H2,20,25)(H2,21,26)
InChIKeyRQLQGDZOIGRRBI-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.52
Rot. Bonds4

About 5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide

5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide (PubChem CID 171820275) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide.

Molecular Properties

Compound Name5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide
PubChem CID171820275
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide
SMILESCCn1cc(C(N)=O)c2c(-c3cccc(O)c3C)c(N)c(C(N)=O)nc21
InChIInChI=1S/C18H19N5O3/c1-3-23-7-10(16(20)25)13-12(9-5-4-6-11(24)8(9)2)14(19)15(17(21)26)22-18(13)23/h4-7,24H,3,19H2,1-2H3,(H2,20,25)(H2,21,26)
InChIKeyRQLQGDZOIGRRBI-UHFFFAOYSA-N
XLogP1.52
TPSA150.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 171819982
5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 174326259
5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide
CID 171820136
5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 171820192
5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide
CID 171820049
7-amino-8-(3-hydroxy-2-methylphenyl)quinoline-6-carboxamide
CID 171645303
6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide
CID 171645198
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 171820110
3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 177283417
4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 126564478
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide
CID 171820058
5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide
CID 171819848

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide?
The IUPAC name of 5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide (CID 171820275) is 5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide.
What is the SMILES notation for 5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide?
The canonical SMILES for 5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide is CCn1cc(C(N)=O)c2c(-c3cccc(O)c3C)c(N)c(C(N)=O)nc21.
What is the InChIKey of 5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide?
The InChIKey is RQLQGDZOIGRRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-3-23-7-10(16(20)25)13-12(9-5-4-6-11(24)8(9)2)14(19)15(17(21)26)22-18(13)23/h4-7,24H,3,19H2,1-2H3,(H2,20,25)(H2,21,26).
What are the key properties of 5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide?
5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide is sourced from PubChem (CID 171820275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).