5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride

C10H16BrCl2N3O — CID 119431575

IUPAC5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
SMILESCNCCCNC(=O)c1ccc(Br)cn1.Cl.Cl
InChIInChI=1S/C10H14BrN3O.2ClH/c1-12-5-2-6-13-10(15)9-4-3-8(11)7-14-9;;/h3-4,7,12H,2,5-6H2,1H3,(H,13,15);2*1H
InChIKeyYZTITOXHSIKXOF-UHFFFAOYSA-N
MW345.07 g/mol
LogP2.03
Rot. Bonds5

About 5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride

5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride (PubChem CID 119431575) has the molecular formula C10H16BrCl2N3O and a molecular weight of 345.07 g/mol. Its IUPAC name is 5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
PubChem CID119431575
Molecular FormulaC10H16BrCl2N3O
Molecular Weight345.07 g/mol
Exact Mass342.99
IUPAC Name5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
SMILESCNCCCNC(=O)c1ccc(Br)cn1.Cl.Cl
InChIInChI=1S/C10H14BrN3O.2ClH/c1-12-5-2-6-13-10(15)9-4-3-8(11)7-14-9;;/h3-4,7,12H,2,5-6H2,1H3,(H,13,15);2*1H
InChIKeyYZTITOXHSIKXOF-UHFFFAOYSA-N
XLogP2.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.07
LogP ≤ 52.03
H-Bond Donors ≤ 52
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-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide
CID 119431033
5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55210079
5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 55152309
N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide
CID 77036604
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[3-(methylamino)propyl]benzamide;dihydrochloride
CID 119432163
5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 62958321
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide
CID 79351145
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 112688688
6-bromo-N-[3-(methylamino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
CID 119431692
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride (CID 119431575) is 5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride is CNCCCNC(=O)c1ccc(Br)cn1.Cl.Cl.
What is the InChIKey of 5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is YZTITOXHSIKXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O.2ClH/c1-12-5-2-6-13-10(15)9-4-3-8(11)7-14-9;;/h3-4,7,12H,2,5-6H2,1H3,(H,13,15);2*1H.
What are the key properties of 5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride?
5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 345.07 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119431575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).