5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide

C11H19N3O — CID 70794845

IUPAC5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide
SMILESCCC(C)NC(=O)C1=NC(C)(N)C(C)=C1
InChIInChI=1S/C11H19N3O/c1-5-8(3)13-10(15)9-6-7(2)11(4,12)14-9/h6,8H,5,12H2,1-4H3,(H,13,15)
InChIKeyIBRVORPAZSPBJC-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.98
Rot. Bonds3

About 5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide

5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide (PubChem CID 70794845) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide
PubChem CID70794845
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide
SMILESCCC(C)NC(=O)C1=NC(C)(N)C(C)=C1
InChIInChI=1S/C11H19N3O/c1-5-8(3)13-10(15)9-6-7(2)11(4,12)14-9/h6,8H,5,12H2,1-4H3,(H,13,15)
InChIKeyIBRVORPAZSPBJC-UHFFFAOYSA-N
XLogP0.98
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of 5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide (CID 70794845) is 5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide is CCC(C)NC(=O)C1=NC(C)(N)C(C)=C1.
What is the InChIKey of 5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide?
The InChIKey is IBRVORPAZSPBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-8(3)13-10(15)9-6-7(2)11(4,12)14-9/h6,8H,5,12H2,1-4H3,(H,13,15).
What are the key properties of 5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide?
5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 70794845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).