4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide

C11H19N3O2 — CID 61107667

IUPAC4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C11H19N3O2/c1-2-3-4-14(5-6-15)11(16)10-7-9(12)8-13-10/h7-8,13,15H,2-6,12H2,1H3
InChIKeyFJWLUZLQUXNEOH-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.83
Rot. Bonds6

About 4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide

4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide (PubChem CID 61107667) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
PubChem CID61107667
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C11H19N3O2/c1-2-3-4-14(5-6-15)11(16)10-7-9(12)8-13-10/h7-8,13,15H,2-6,12H2,1H3
InChIKeyFJWLUZLQUXNEOH-UHFFFAOYSA-N
XLogP0.83
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 61114256
4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62160207
4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 61109060
4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 63693899
4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide
CID 43642564
4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43642296
N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61448160
6-amino-N-butyl-N-(2-hydroxyethyl)-1,3-benzodioxole-5-carboxamide
CID 103542913
4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide
CID 43410885
1-amino-N-butyl-N-(2-hydroxyethyl)isoquinoline-3-carboxamide
CID 62160551
4-amino-N,N-dibutyl-1-methylpyrrole-2-carboxamide
CID 43643260
3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 107872372

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide (CID 61107667) is 4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide is CCCCN(CCO)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is FJWLUZLQUXNEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-3-4-14(5-6-15)11(16)10-7-9(12)8-13-10/h7-8,13,15H,2-6,12H2,1H3.
What are the key properties of 4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61107667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).