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

C10H14BrN3O — CID 43600789

IUPAC5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
SMILESCNCCCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C10H14BrN3O/c1-12-3-2-4-14-10(15)8-5-9(11)7-13-6-8/h5-7,12H,2-4H2,1H3,(H,14,15)
InChIKeyKHWWDHGNJBPMHG-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.18
Rot. Bonds5

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

5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide (PubChem CID 43600789) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
PubChem CID43600789
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
SMILESCNCCCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C10H14BrN3O/c1-12-3-2-4-14-10(15)8-5-9(11)7-13-6-8/h5-7,12H,2-4H2,1H3,(H,14,15)
InChIKeyKHWWDHGNJBPMHG-UHFFFAOYSA-N
XLogP1.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.18
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

N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride
CID 119408157
5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide
CID 60628479
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
4-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538521
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 113233794
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide
CID 47165798
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858
5-bromo-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114617380

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide (CID 43600789) is 5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide is CNCCCNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
The InChIKey is KHWWDHGNJBPMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-12-3-2-4-14-10(15)8-5-9(11)7-13-6-8/h5-7,12H,2-4H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide has a molecular weight of 272.15 g/mol, XLogP of 1.18, 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-3-carboxamide is sourced from PubChem (CID 43600789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).