5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide

C13H20BrN3O — CID 55153821

IUPAC5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H20BrN3O/c1-3-17(4-2)9-5-8-15-13(18)12-7-6-11(14)10-16-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,18)
InChIKeyBFJIONWKFHLNTE-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.31
Rot. Bonds7

About 5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide

5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide (PubChem CID 55153821) 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-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
PubChem CID55153821
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H20BrN3O/c1-3-17(4-2)9-5-8-15-13(18)12-7-6-11(14)10-16-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,18)
InChIKeyBFJIONWKFHLNTE-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-(aminomethyl)-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63723354
5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
CID 119431575
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide
CID 60628479
5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55210079
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 55152309
N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide
CID 77036604
5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide
CID 103600067
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide
CID 106255667
5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 62958321

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide (CID 55153821) is 5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide is CCN(CC)CCCNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is BFJIONWKFHLNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-3-17(4-2)9-5-8-15-13(18)12-7-6-11(14)10-16-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,18).
What are the key properties of 5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide?
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-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-2-carboxamide is sourced from PubChem (CID 55153821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).