4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide

C13H20BrN3O — CID 79036256

IUPAC4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
SMILESCC1CC(NC(=O)c2cc(Br)cn2C)CCN1C
InChIInChI=1S/C13H20BrN3O/c1-9-6-11(4-5-16(9)2)15-13(18)12-7-10(14)8-17(12)3/h7-9,11H,4-6H2,1-3H3,(H,15,18)
InChIKeyZZUOAXNRAHFHAU-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.00
Rot. Bonds2

About 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 79036256) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
PubChem CID79036256
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
SMILESCC1CC(NC(=O)c2cc(Br)cn2C)CCN1C
InChIInChI=1S/C13H20BrN3O/c1-9-6-11(4-5-16(9)2)15-13(18)12-7-10(14)8-17(12)3/h7-9,11H,4-6H2,1-3H3,(H,15,18)
InChIKeyZZUOAXNRAHFHAU-UHFFFAOYSA-N
XLogP2.00
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-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

3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide
CID 103908813
4-bromo-1-methyl-N-(2-methylcyclopropyl)pyrrole-2-carboxamide
CID 62408030
4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379331
4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 60956390
4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide
CID 104578412
4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide
CID 61244506
2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
CID 81001993
4-bromo-1-(1,2-dimethylpiperidin-4-yl)pyrrole-2-carboxylic acid
CID 114606269
4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 103954038
2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
CID 79005722
3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 79036258
ethyl 4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 60932820

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide (CID 79036256) is 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide is CC1CC(NC(=O)c2cc(Br)cn2C)CCN1C.
What is the InChIKey of 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is ZZUOAXNRAHFHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9-6-11(4-5-16(9)2)15-13(18)12-7-10(14)8-17(12)3/h7-9,11H,4-6H2,1-3H3,(H,15,18).
What are the key properties of 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 314.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 79036256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).