4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide

C20H26BrN3O2 — CID 56551808

IUPAC4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C20H26BrN3O2/c1-2-24-14-17(21)11-19(24)20(26)22-12-15-3-5-16(6-4-15)13-23-9-7-18(25)8-10-23/h3-6,11,14,18,25H,2,7-10,12-13H2,1H3,(H,22,26)
InChIKeyNQOUGSJKBAMABJ-UHFFFAOYSA-N
MW420.35 g/mol
LogP3.16
Rot. Bonds6

About 4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide

4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide (PubChem CID 56551808) has the molecular formula C20H26BrN3O2 and a molecular weight of 420.35 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
PubChem CID56551808
Molecular FormulaC20H26BrN3O2
Molecular Weight420.35 g/mol
Exact Mass419.12
IUPAC Name4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C20H26BrN3O2/c1-2-24-14-17(21)11-19(24)20(26)22-12-15-3-5-16(6-4-15)13-23-9-7-18(25)8-10-23/h3-6,11,14,18,25H,2,7-10,12-13H2,1H3,(H,22,26)
InChIKeyNQOUGSJKBAMABJ-UHFFFAOYSA-N
XLogP3.16
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide with MolForge

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Related Compounds

4-[[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]methyl]benzoic acid
CID 43639565
5-[[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092573
4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56551902
4-bromo-1-ethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 62727673
4-amino-N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 60779952
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 56555119
N-[(4-aminophenyl)methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 116650037
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 81093916
4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 61249259
(2R)-2-ethoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 95150276
4-bromo-1-ethyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide
CID 62728987
4-bromo-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 55137906

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide (CID 56551808) is 4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of 4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide?
The InChIKey is NQOUGSJKBAMABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3O2/c1-2-24-14-17(21)11-19(24)20(26)22-12-15-3-5-16(6-4-15)13-23-9-7-18(25)8-10-23/h3-6,11,14,18,25H,2,7-10,12-13H2,1H3,(H,22,26).
What are the key properties of 4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide has a molecular weight of 420.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 56551808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).