4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide

C13H20BrN3O2 — CID 54877994

IUPAC4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCN1CCC(N(CCO)C(=O)c2cc(Br)c[nH]2)CC1
InChIInChI=1S/C13H20BrN3O2/c1-16-4-2-11(3-5-16)17(6-7-18)13(19)12-8-10(14)9-15-12/h8-9,11,15,18H,2-7H2,1H3
InChIKeyOZKASGNIJPCVCX-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.31
Rot. Bonds4

About 4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide

4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 54877994) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID54877994
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCN1CCC(N(CCO)C(=O)c2cc(Br)c[nH]2)CC1
InChIInChI=1S/C13H20BrN3O2/c1-16-4-2-11(3-5-16)17(6-7-18)13(19)12-8-10(14)9-15-12/h8-9,11,15,18H,2-7H2,1H3
InChIKeyOZKASGNIJPCVCX-UHFFFAOYSA-N
XLogP1.31
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-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-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 60955759
4-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 54942689
4-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 63274163
3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 104852406
4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 43576939
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide
CID 61230753
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 115600313
4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide
CID 43410885
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60959224
3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 107952170
2-[(4-bromo-1H-pyrrole-2-carbonyl)-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 60843658
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106626847

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide (CID 54877994) is 4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide is CN1CCC(N(CCO)C(=O)c2cc(Br)c[nH]2)CC1.
What is the InChIKey of 4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is OZKASGNIJPCVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-16-4-2-11(3-5-16)17(6-7-18)13(19)12-8-10(14)9-15-12/h8-9,11,15,18H,2-7H2,1H3.
What are the key properties of 4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 330.23 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 54877994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).