N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride

C9H14BrCl2N3O — CID 119408157

IUPACN-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C9H12BrN3O.2ClH/c10-8-4-7(5-12-6-8)9(14)13-3-1-2-11;;/h4-6H,1-3,11H2,(H,13,14);2*1H
InChIKeyLHFNXXBQFBMXAL-UHFFFAOYSA-N
MW331.04 g/mol
LogP1.77
Rot. Bonds4

About N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride

N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride (PubChem CID 119408157) has the molecular formula C9H14BrCl2N3O and a molecular weight of 331.04 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride
PubChem CID119408157
Molecular FormulaC9H14BrCl2N3O
Molecular Weight331.04 g/mol
Exact Mass328.97
IUPAC NameN-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C9H12BrN3O.2ClH/c10-8-4-7(5-12-6-8)9(14)13-3-1-2-11;;/h4-6H,1-3,11H2,(H,13,14);2*1H
InChIKeyLHFNXXBQFBMXAL-UHFFFAOYSA-N
XLogP1.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.04
LogP ≤ 51.77
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-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789
5-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103709015
5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide
CID 60628479
5-bromo-N-(3-propoxypropyl)pyridine-3-carboxamide
CID 82944503
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-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858
4-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538521
5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide
CID 27883856
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide
CID 113285893
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
CID 3136484

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride (CID 119408157) is N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride is Cl.Cl.NCCCNC(=O)c1cncc(Br)c1.
What is the InChIKey of N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride?
The InChIKey is LHFNXXBQFBMXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O.2ClH/c10-8-4-7(5-12-6-8)9(14)13-3-1-2-11;;/h4-6H,1-3,11H2,(H,13,14);2*1H.
What are the key properties of N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride?
N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride has a molecular weight of 331.04 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119408157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).