5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide

C13H20BrN3O — CID 62168980

IUPAC5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide
SMILESCCCCCN(C)C(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C13H20BrN3O/c1-4-5-6-7-17(3)13(18)11-8-10(14)9-16-12(11)15-2/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyMTVNQUBWXYIMQE-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.15
Rot. Bonds6

About 5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide

5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide (PubChem CID 62168980) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide
PubChem CID62168980
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide
SMILESCCCCCN(C)C(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C13H20BrN3O/c1-4-5-6-7-17(3)13(18)11-8-10(14)9-16-12(11)15-2/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyMTVNQUBWXYIMQE-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 55047297
5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107201170
5-bromo-N-methyl-2-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62169583
5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107204449
5-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 64518925
5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 63838945
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 79386356
5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide
CID 107818051
5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62179231
5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047105
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924
5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81075105

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide (CID 62168980) is 5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide is CCCCCN(C)C(=O)c1cc(Br)cnc1NC.
What is the InChIKey of 5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide?
The InChIKey is MTVNQUBWXYIMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-4-5-6-7-17(3)13(18)11-8-10(14)9-16-12(11)15-2/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide?
5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide has a molecular weight of 314.23 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide is sourced from PubChem (CID 62168980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).