N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide

C12H18BrN3O — CID 115318950

IUPACN-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
SMILESCN(CCCN)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C12H18BrN3O/c1-15(6-2-5-14)12(17)11-7-9(13)8-16(11)10-3-4-10/h7-8,10H,2-6,14H2,1H3
InChIKeyYQOFZCJYUVYPSO-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.01
Rot. Bonds5

About N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide

N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide (PubChem CID 115318950) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
PubChem CID115318950
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC NameN-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
SMILESCN(CCCN)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C12H18BrN3O/c1-15(6-2-5-14)12(17)11-7-9(13)8-16(11)10-3-4-10/h7-8,10H,2-6,14H2,1H3
InChIKeyYQOFZCJYUVYPSO-UHFFFAOYSA-N
XLogP2.01
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43641522
N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 115318911
N-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 116652025
4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 60954319
4-bromo-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114949558
4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 60960256
4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
CID 106915735
4-bromo-1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-2-carboxamide
CID 79318654
4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 60954974
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423972
4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide
CID 114949567
4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide
CID 55012077

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide (CID 115318950) is N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide is CN(CCCN)C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The InChIKey is YQOFZCJYUVYPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-15(6-2-5-14)12(17)11-7-9(13)8-16(11)10-3-4-10/h7-8,10H,2-6,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 115318950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).