5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide

C13H20BrN3O — CID 60628479

IUPAC5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H20BrN3O/c1-3-17(4-2)7-5-6-16-13(18)11-8-12(14)10-15-9-11/h8-10H,3-7H2,1-2H3,(H,16,18)
InChIKeyHAOYJBCROQIYAJ-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.31
Rot. Bonds7

About 5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide

5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide (PubChem CID 60628479) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide
PubChem CID60628479
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H20BrN3O/c1-3-17(4-2)7-5-6-16-13(18)11-8-12(14)10-15-9-11/h8-10H,3-7H2,1-2H3,(H,16,18)
InChIKeyHAOYJBCROQIYAJ-UHFFFAOYSA-N
XLogP2.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789
3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide
CID 104851807
N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride
CID 119408157
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
5-bromo-N-(3-propoxypropyl)pyridine-3-carboxamide
CID 82944503
5-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103709015
5-[(5-bromopyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682071
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858
N-[3-(diethylamino)propyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 110476308

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide (CID 60628479) is 5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide is CCN(CC)CCCNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide?
The InChIKey is HAOYJBCROQIYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-3-17(4-2)7-5-6-16-13(18)11-8-12(14)10-15-9-11/h8-10H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide?
5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide has a molecular weight of 314.23 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 60628479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).