4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide

C13H22BrN3O — CID 113247680

IUPAC4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCCCN(CC)CCNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H22BrN3O/c1-4-7-17(5-2)8-6-15-13(18)12-9-11(14)10-16(12)3/h9-10H,4-8H2,1-3H3,(H,15,18)
InChIKeyGASPFDWJMQJQBC-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.25
Rot. Bonds7

About 4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide

4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 113247680) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is 4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID113247680
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCCCN(CC)CCNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H22BrN3O/c1-4-7-17(5-2)8-6-15-13(18)12-9-11(14)10-16(12)3/h9-10H,4-8H2,1-3H3,(H,15,18)
InChIKeyGASPFDWJMQJQBC-UHFFFAOYSA-N
XLogP2.25
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 60701907
N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103719329
4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide
CID 43411143
ethyl 4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]butanoate
CID 60698954
4-bromo-1-methyl-N-[3-(N-methylanilino)propyl]pyrrole-2-carboxamide
CID 43411208
4-bromo-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-2-carboxamide
CID 60712476
4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65111825
4-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 103767831
5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide
CID 103719320
4-bromo-N-(3-cyclopentylpropyl)-1-methylpyrrole-2-carboxamide
CID 113221337
4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide
CID 60701929
4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 43641486

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide (CID 113247680) is 4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide is CCCN(CC)CCNC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is GASPFDWJMQJQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-4-7-17(5-2)8-6-15-13(18)12-9-11(14)10-16(12)3/h9-10H,4-8H2,1-3H3,(H,15,18).
What are the key properties of 4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide?
4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 316.24 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 113247680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).