2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide

C17H18N4O2 — CID 156869549

IUPAC2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cnc2c(c1)c(C(N)=O)c(N)n2-c1c(C)ccc(O)c1C
InChIInChI=1S/C17H18N4O2/c1-8-6-11-13(16(19)23)15(18)21(17(11)20-7-8)14-9(2)4-5-12(22)10(14)3/h4-7,22H,18H2,1-3H3,(H2,19,23)
InChIKeyULDZGHWDQNMQNE-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.34
Rot. Bonds2

About 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide

2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 156869549) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID156869549
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cnc2c(c1)c(C(N)=O)c(N)n2-c1c(C)ccc(O)c1C
InChIInChI=1S/C17H18N4O2/c1-8-6-11-13(16(19)23)15(18)21(17(11)20-7-8)14-9(2)4-5-12(22)10(14)3/h4-7,22H,18H2,1-3H3,(H2,19,23)
InChIKeyULDZGHWDQNMQNE-UHFFFAOYSA-N
XLogP2.34
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 156869549) is 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide is Cc1cnc2c(c1)c(C(N)=O)c(N)n2-c1c(C)ccc(O)c1C.
What is the InChIKey of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is ULDZGHWDQNMQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-8-6-11-13(16(19)23)15(18)21(17(11)20-7-8)14-9(2)4-5-12(22)10(14)3/h4-7,22H,18H2,1-3H3,(H2,19,23).
What are the key properties of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 156869549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).