N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride

C12H21BrClN3O — CID 119570119

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cc(Br)cn1C.Cl
InChIInChI=1S/C12H20BrN3O.ClH/c1-4-12(5-2,8-14)15-11(17)10-6-9(13)7-16(10)3;/h6-7H,4-5,8,14H2,1-3H3,(H,15,17);1H
InChIKeyHPPIOUFAWRPZOF-UHFFFAOYSA-N
MW338.68 g/mol
LogP2.46
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119570119) has the molecular formula C12H21BrClN3O and a molecular weight of 338.68 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID119570119
Molecular FormulaC12H21BrClN3O
Molecular Weight338.68 g/mol
Exact Mass337.06
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cc(Br)cn1C.Cl
InChIInChI=1S/C12H20BrN3O.ClH/c1-4-12(5-2,8-14)15-11(17)10-6-9(13)7-16(10)3;/h6-7H,4-5,8,14H2,1-3H3,(H,15,17);1H
InChIKeyHPPIOUFAWRPZOF-UHFFFAOYSA-N
XLogP2.46
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.68
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride 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

N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 63193827
4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 64555951
3-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 166224907
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-phenylbutanoic acid
CID 119201669
4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65111825
N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119568953
4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119981288
N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119614922
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-methylpyrrole-2-carboxamide
CID 81090225
4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide
CID 115634355
N-[3-(aminomethyl)pentan-3-yl]-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119568785
4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide
CID 61470818

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride (CID 119570119) is N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)c1cc(Br)cn1C.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is HPPIOUFAWRPZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O.ClH/c1-4-12(5-2,8-14)15-11(17)10-6-9(13)7-16(10)3;/h6-7H,4-5,8,14H2,1-3H3,(H,15,17);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 338.68 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119570119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).