5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide

C17H17N5O2 — CID 174326259

IUPAC5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESC=Nc1cn(C)c2nc(C(N)=O)c(N)c(-c3cccc(O)c3C)c12
InChIInChI=1S/C17H17N5O2/c1-8-9(5-4-6-11(8)23)12-13-10(20-2)7-22(3)17(13)21-15(14(12)18)16(19)24/h4-7,23H,2,18H2,1,3H3,(H2,19,24)
InChIKeyRUUZAFNLFIBCIC-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.27
Rot. Bonds3

About 5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide

5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 174326259) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID174326259
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESC=Nc1cn(C)c2nc(C(N)=O)c(N)c(-c3cccc(O)c3C)c12
InChIInChI=1S/C17H17N5O2/c1-8-9(5-4-6-11(8)23)12-13-10(20-2)7-22(3)17(13)21-15(14(12)18)16(19)24/h4-7,23H,2,18H2,1,3H3,(H2,19,24)
InChIKeyRUUZAFNLFIBCIC-UHFFFAOYSA-N
XLogP2.27
TPSA119.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide (CID 174326259) is 5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide is C=Nc1cn(C)c2nc(C(N)=O)c(N)c(-c3cccc(O)c3C)c12.
What is the InChIKey of 5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is RUUZAFNLFIBCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-8-9(5-4-6-11(8)23)12-13-10(20-2)7-22(3)17(13)21-15(14(12)18)16(19)24/h4-7,23H,2,18H2,1,3H3,(H2,19,24).
What are the key properties of 5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide?
5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 174326259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).