4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide

C12H16BrN3O3 — CID 47159960

IUPAC4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCC(=O)N1CCOCC1)c1cc(Br)c[nH]1
InChIInChI=1S/C12H16BrN3O3/c13-9-7-10(15-8-9)12(18)14-2-1-11(17)16-3-5-19-6-4-16/h7-8,15H,1-6H2,(H,14,18)
InChIKeyYBUJZBUGRNHOQQ-UHFFFAOYSA-N
MW330.18 g/mol
LogP0.76
Rot. Bonds4

About 4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide (PubChem CID 47159960) has the molecular formula C12H16BrN3O3 and a molecular weight of 330.18 g/mol. Its IUPAC name is 4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide
PubChem CID47159960
Molecular FormulaC12H16BrN3O3
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCC(=O)N1CCOCC1)c1cc(Br)c[nH]1
InChIInChI=1S/C12H16BrN3O3/c13-9-7-10(15-8-9)12(18)14-2-1-11(17)16-3-5-19-6-4-16/h7-8,15H,1-6H2,(H,14,18)
InChIKeyYBUJZBUGRNHOQQ-UHFFFAOYSA-N
XLogP0.76
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-morpholin-4-yl-2-oxoethyl) 4-bromo-1H-pyrrole-2-carboxylate
CID 18203618
5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
CID 115578537
3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115670843
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115597294
2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 103853094
N-(3-aminopropyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 61249115
2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697423
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 115600313
4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide
CID 30780727
4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
CID 115637079
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide (CID 47159960) is 4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide is O=C(NCCC(=O)N1CCOCC1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is YBUJZBUGRNHOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3/c13-9-7-10(15-8-9)12(18)14-2-1-11(17)16-3-5-19-6-4-16/h7-8,15H,1-6H2,(H,14,18).
What are the key properties of 4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 330.18 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47159960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).