4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide

C15H24BrN3O2 — CID 43641464

IUPAC4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H24BrN3O2/c1-2-5-19-12-13(16)11-14(19)15(20)17-4-3-6-18-7-9-21-10-8-18/h11-12H,2-10H2,1H3,(H,17,20)
InChIKeyMUXNPTTXHYNMAZ-UHFFFAOYSA-N
MW358.28 g/mol
LogP2.11
Rot. Bonds7

About 4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43641464) has the molecular formula C15H24BrN3O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is 4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide
PubChem CID43641464
Molecular FormulaC15H24BrN3O2
Molecular Weight358.28 g/mol
Exact Mass357.11
IUPAC Name4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H24BrN3O2/c1-2-5-19-12-13(16)11-14(19)15(20)17-4-3-6-18-7-9-21-10-8-18/h11-12H,2-10H2,1H3,(H,17,20)
InChIKeyMUXNPTTXHYNMAZ-UHFFFAOYSA-N
XLogP2.11
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
4-bromo-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-2-carboxamide
CID 60712476
4-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 81130387
4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641423
4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 79351058
4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 86915188
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
4-bromo-N-[3-(dimethylamino)-3-oxopropyl]-1-propylpyrrole-2-carboxamide
CID 54934711
4-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-1-propylpyrrole-2-carboxamide
CID 61022215
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 103007206
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide (CID 43641464) is 4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is MUXNPTTXHYNMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O2/c1-2-5-19-12-13(16)11-14(19)15(20)17-4-3-6-18-7-9-21-10-8-18/h11-12H,2-10H2,1H3,(H,17,20).
What are the key properties of 4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 358.28 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43641464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).