5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide

C16H22BrN3O — CID 169006404

IUPAC5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCCCn1c(C(=O)N(CC)CC)cc2cc(Br)ncc21
InChIInChI=1S/C16H22BrN3O/c1-4-7-8-20-13(16(21)19(5-2)6-3)9-12-10-15(17)18-11-14(12)20/h9-11H,4-8H2,1-3H3
InChIKeySZUAJYAESPIEQW-UHFFFAOYSA-N
MW352.28 g/mol
LogP4.08
Rot. Bonds6

About 5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide

5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 169006404) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID169006404
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCCCn1c(C(=O)N(CC)CC)cc2cc(Br)ncc21
InChIInChI=1S/C16H22BrN3O/c1-4-7-8-20-13(16(21)19(5-2)6-3)9-12-10-15(17)18-11-14(12)20/h9-11H,4-8H2,1-3H3
InChIKeySZUAJYAESPIEQW-UHFFFAOYSA-N
XLogP4.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide
CID 70029571
7-bromo-N,N,1-triethylindole-2-carboxamide
CID 171663013
5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine
CID 154029167
7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one
CID 137463664
2-bromo-N-butyl-N-ethylpyridine-4-carboxamide
CID 103751876
1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide
CID 53243395
N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651492
6-bromo-N-ethyl-N-propylpyridine-3-carboxamide
CID 66463470
1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
CID 138680285
1-(5-bromopyrazolo[3,4-c]pyridin-1-yl)ethanone
CID 72698524
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82475538

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide (CID 169006404) is 5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide is CCCCn1c(C(=O)N(CC)CC)cc2cc(Br)ncc21.
What is the InChIKey of 5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is SZUAJYAESPIEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-4-7-8-20-13(16(21)19(5-2)6-3)9-12-10-15(17)18-11-14(12)20/h9-11H,4-8H2,1-3H3.
What are the key properties of 5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide?
5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 169006404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).