4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide

C15H18BrN3O — CID 60914798

IUPAC4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NCCc1cccnc1
InChIInChI=1S/C15H18BrN3O/c1-11(2)19-10-13(16)8-14(19)15(20)18-7-5-12-4-3-6-17-9-12/h3-4,6,8-11H,5,7H2,1-2H3,(H,18,20)
InChIKeyGAOPMMGDLFFVFJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.20
Rot. Bonds5

About 4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide

4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide (PubChem CID 60914798) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide
PubChem CID60914798
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NCCc1cccnc1
InChIInChI=1S/C15H18BrN3O/c1-11(2)19-10-13(16)8-14(19)15(20)18-7-5-12-4-3-6-17-9-12/h3-4,6,8-11H,5,7H2,1-2H3,(H,18,20)
InChIKeyGAOPMMGDLFFVFJ-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(3-fluorophenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43641734
4-bromo-N-[2-(2-methylpropanoylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61248454
4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78885111
5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 65306899
4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 104627181
4-bromo-N-(4-methylpentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54913924
4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide
CID 122564685
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]ethyl carbamate
CID 83203517
4-bromo-N-[3-(ethylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43640199
4-bromo-N-[2-(2-hydroxypropylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 104593748
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
4-bromo-1-cyclopropyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 43641323

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide (CID 60914798) is 4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)NCCc1cccnc1.
What is the InChIKey of 4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide?
The InChIKey is GAOPMMGDLFFVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-11(2)19-10-13(16)8-14(19)15(20)18-7-5-12-4-3-6-17-9-12/h3-4,6,8-11H,5,7H2,1-2H3,(H,18,20).
What are the key properties of 4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide?
4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 60914798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).