4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide

C13H13Br2N3O — CID 43641337

IUPAC4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H13Br2N3O/c1-2-5-18-8-10(15)6-11(18)13(19)17-12-4-3-9(14)7-16-12/h3-4,6-8H,2,5H2,1H3,(H,16,17,19)
InChIKeyVQFSEADHYPWIOW-UHFFFAOYSA-N
MW387.08 g/mol
LogP4.07
Rot. Bonds4

About 4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43641337) has the molecular formula C13H13Br2N3O and a molecular weight of 387.08 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide
PubChem CID43641337
Molecular FormulaC13H13Br2N3O
Molecular Weight387.08 g/mol
Exact Mass384.94
IUPAC Name4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H13Br2N3O/c1-2-5-18-8-10(15)6-11(18)13(19)17-12-4-3-9(14)7-16-12/h3-4,6-8H,2,5H2,1H3,(H,16,17,19)
InChIKeyVQFSEADHYPWIOW-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.08
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 60783539
4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 63565030
4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 43641258
4-bromo-1-propyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60956374
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190
4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 79351058
4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide
CID 43640837
4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 63525463
4-bromo-N-(5-nitro-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 60954776
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 81093916
N-[(4-aminophenyl)methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 116650037

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide (CID 43641337) is 4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is VQFSEADHYPWIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O/c1-2-5-18-8-10(15)6-11(18)13(19)17-12-4-3-9(14)7-16-12/h3-4,6-8H,2,5H2,1H3,(H,16,17,19).
What are the key properties of 4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 387.08 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43641337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).