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

C14H20BrN3O — CID 116652025

IUPACN-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(Br)cn1C1CC1)C(CN)C1CC1
InChIInChI=1S/C14H20BrN3O/c1-17(13(7-16)9-2-3-9)14(19)12-6-10(15)8-18(12)11-4-5-11/h6,8-9,11,13H,2-5,7,16H2,1H3
InChIKeyZLYVKNZORIOZKS-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.39
Rot. Bonds5

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

N-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide (PubChem CID 116652025) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
PubChem CID116652025
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(Br)cn1C1CC1)C(CN)C1CC1
InChIInChI=1S/C14H20BrN3O/c1-17(13(7-16)9-2-3-9)14(19)12-6-10(15)8-18(12)11-4-5-11/h6,8-9,11,13H,2-5,7,16H2,1H3
InChIKeyZLYVKNZORIOZKS-UHFFFAOYSA-N
XLogP2.39
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 116651942
N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 115318950
4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43641522
4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide
CID 60955282
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 82950994
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423972
N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 113282136
4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 60955272
4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 60954319
N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide
CID 116651891
4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
CID 106915735
4-bromo-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114949558

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide (CID 116652025) is N-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide is CN(C(=O)c1cc(Br)cn1C1CC1)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The InChIKey is ZLYVKNZORIOZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-17(13(7-16)9-2-3-9)14(19)12-6-10(15)8-18(12)11-4-5-11/h6,8-9,11,13H,2-5,7,16H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 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-cyclopropyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 116652025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).