4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide

C11H19N3O2 — CID 61105245

IUPAC4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide
SMILESCCCN(CCO)C(=O)c1cc(N)cn1C
InChIInChI=1S/C11H19N3O2/c1-3-4-14(5-6-15)11(16)10-7-9(12)8-13(10)2/h7-8,15H,3-6,12H2,1-2H3
InChIKeyHSRYZFFFWGFGAN-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.45
Rot. Bonds5

About 4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide

4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide (PubChem CID 61105245) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide
PubChem CID61105245
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide
SMILESCCCN(CCO)C(=O)c1cc(N)cn1C
InChIInChI=1S/C11H19N3O2/c1-3-4-14(5-6-15)11(16)10-7-9(12)8-13(10)2/h7-8,15H,3-6,12H2,1-2H3
InChIKeyHSRYZFFFWGFGAN-UHFFFAOYSA-N
XLogP0.45
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide (CID 61105245) is 4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide is CCCN(CCO)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide?
The InChIKey is HSRYZFFFWGFGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-4-14(5-6-15)11(16)10-7-9(12)8-13(10)2/h7-8,15H,3-6,12H2,1-2H3.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide?
4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61105245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).