N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride

C11H17BrClN3O — CID 119614922

IUPACN-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(Br)cc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C11H16BrN3O.ClH/c1-15-6-8(12)4-10(15)11(16)14-9(5-13)7-2-3-7;/h4,6-7,9H,2-3,5,13H2,1H3,(H,14,16);1H
InChIKeyLYCUOBVKHWFTIR-UHFFFAOYSA-N
MW322.63 g/mol
LogP1.68
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119614922) has the molecular formula C11H17BrClN3O and a molecular weight of 322.63 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID119614922
Molecular FormulaC11H17BrClN3O
Molecular Weight322.63 g/mol
Exact Mass321.02
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(Br)cc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C11H16BrN3O.ClH/c1-15-6-8(12)4-10(15)11(16)14-9(5-13)7-2-3-7;/h4,6-7,9H,2-3,5,13H2,1H3,(H,14,16);1H
InChIKeyLYCUOBVKHWFTIR-UHFFFAOYSA-N
XLogP1.68
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.63
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid
CID 62696089
N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 115309213
4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide
CID 119589885
4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 63294689
4-bromo-1-methyl-N-(4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 43641586
N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119616778
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 79250303
methyl 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 43409034
4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63524955
4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 65188824
(2R)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063046
(2S)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063050

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride (CID 119614922) is N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride is Cl.Cn1cc(Br)cc1C(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is LYCUOBVKHWFTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O.ClH/c1-15-6-8(12)4-10(15)11(16)14-9(5-13)7-2-3-7;/h4,6-7,9H,2-3,5,13H2,1H3,(H,14,16);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 322.63 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119614922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).