N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide

C12H20BrN3O — CID 79652794

IUPACN-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C12H20BrN3O/c1-12(2,7-14)8-16(4)11(17)10-5-9(13)6-15(10)3/h5-6H,7-8,14H2,1-4H3
InChIKeyJABSCEMCMPQZLC-UHFFFAOYSA-N
MW302.22 g/mol
LogP1.84
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 79652794) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide
PubChem CID79652794
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C12H20BrN3O/c1-12(2,7-14)8-16(4)11(17)10-5-9(13)6-15(10)3/h5-6H,7-8,14H2,1-4H3
InChIKeyJABSCEMCMPQZLC-UHFFFAOYSA-N
XLogP1.84
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-bromo-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 79652985
N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 119653220
4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide
CID 60702158
4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide
CID 63693703
N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 119656119
N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 63193827
N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
CID 114018521
N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 119654643
N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide
CID 79668013
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 103839927
N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120648433
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide (CID 79652794) is N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide is CN(CC(C)(C)CN)C(=O)c1cc(Br)cn1C.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is JABSCEMCMPQZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-12(2,7-14)8-16(4)11(17)10-5-9(13)6-15(10)3/h5-6H,7-8,14H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 302.22 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 79652794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).