6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide

C13H20BrN3O — CID 113351414

IUPAC6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1cccc(Br)n1
InChIInChI=1S/C13H20BrN3O/c1-10(2)17(3)9-5-8-15-13(18)11-6-4-7-12(14)16-11/h4,6-7,10H,5,8-9H2,1-3H3,(H,15,18)
InChIKeyYNUNCOFKGFQDDY-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.30
Rot. Bonds6

About 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide

6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide (PubChem CID 113351414) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
PubChem CID113351414
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1cccc(Br)n1
InChIInChI=1S/C13H20BrN3O/c1-10(2)17(3)9-5-8-15-13(18)11-6-4-7-12(14)16-11/h4,6-7,10H,5,8-9H2,1-3H3,(H,15,18)
InChIKeyYNUNCOFKGFQDDY-UHFFFAOYSA-N
XLogP2.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050169
6-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106040275
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid
CID 19966484
6-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 62642039
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103719046
methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate
CID 18918524
6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103916813
6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
CID 103889719
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 103917004

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide (CID 113351414) is 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide is CC(C)N(C)CCCNC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
The InChIKey is YNUNCOFKGFQDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-10(2)17(3)9-5-8-15-13(18)11-6-4-7-12(14)16-11/h4,6-7,10H,5,8-9H2,1-3H3,(H,15,18).
What are the key properties of 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide has a molecular weight of 314.23 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 113351414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).