6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide

C17H17N3O2 — CID 177042909

IUPAC6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cc2cccn2c(C(N)=O)c1N
InChIInChI=1S/C17H17N3O2/c1-9-5-6-13(21)10(2)14(9)12-8-11-4-3-7-20(11)16(15(12)18)17(19)22/h3-8,21H,18H2,1-2H3,(H2,19,22)
InChIKeyCUJLJERFPBUNCU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.61
Rot. Bonds2

About 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide

6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide (PubChem CID 177042909) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide.

Molecular Properties

Compound Name6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide
PubChem CID177042909
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cc2cccn2c(C(N)=O)c1N
InChIInChI=1S/C17H17N3O2/c1-9-5-6-13(21)10(2)14(9)12-8-11-4-3-7-20(11)16(15(12)18)17(19)22/h3-8,21H,18H2,1-2H3,(H2,19,22)
InChIKeyCUJLJERFPBUNCU-UHFFFAOYSA-N
XLogP2.61
TPSA93.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide?
The IUPAC name of 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide (CID 177042909) is 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide.
What is the SMILES notation for 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide?
The canonical SMILES for 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide is Cc1ccc(O)c(C)c1-c1cc2cccn2c(C(N)=O)c1N.
What is the InChIKey of 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide?
The InChIKey is CUJLJERFPBUNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-9-5-6-13(21)10(2)14(9)12-8-11-4-3-7-20(11)16(15(12)18)17(19)22/h3-8,21H,18H2,1-2H3,(H2,19,22).
What are the key properties of 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide?
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide is sourced from PubChem (CID 177042909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).