4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide

C10H16BrN3O — CID 43601766

IUPAC4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide
SMILESCCNCCCNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H16BrN3O/c1-2-12-4-3-5-13-10(15)9-6-8(11)7-14-9/h6-7,12,14H,2-5H2,1H3,(H,13,15)
InChIKeyRPEXLBDIXRYJCQ-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.51
Rot. Bonds6

About 4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide (PubChem CID 43601766) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide
PubChem CID43601766
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide
SMILESCCNCCCNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H16BrN3O/c1-2-12-4-3-5-13-10(15)9-6-8(11)7-14-9/h6-7,12,14H,2-5H2,1H3,(H,13,15)
InChIKeyRPEXLBDIXRYJCQ-UHFFFAOYSA-N
XLogP1.51
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 61249115
4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 18108948
N-(4-amino-4-oxobutyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 47191038
4-bromo-N-(3-methylsulfonylpropyl)-1H-pyrrole-2-carboxamide
CID 55139504
4-bromo-N-[3-(cyclopropylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43596530
4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
CID 115637079
4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47356127
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 83120766
4-bromo-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 32979369
4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 65111935
N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 59766106
4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 115589400

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide (CID 43601766) is 4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide is CCNCCCNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RPEXLBDIXRYJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-2-12-4-3-5-13-10(15)9-6-8(11)7-14-9/h6-7,12,14H,2-5H2,1H3,(H,13,15).
What are the key properties of 4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43601766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).