3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide

C13H19BrN2O — CID 107519204

IUPAC3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
SMILESCC(C)CCCCNC(=O)c1ncccc1Br
InChIInChI=1S/C13H19BrN2O/c1-10(2)6-3-4-8-16-13(17)12-11(14)7-5-9-15-12/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,16,17)
InChIKeySCZVWBYRRHKVTQ-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.40
Rot. Bonds6

About 3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide

3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide (PubChem CID 107519204) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
PubChem CID107519204
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
SMILESCC(C)CCCCNC(=O)c1ncccc1Br
InChIInChI=1S/C13H19BrN2O/c1-10(2)6-3-4-8-16-13(17)12-11(14)7-5-9-15-12/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,16,17)
InChIKeySCZVWBYRRHKVTQ-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850
3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
CID 107526349
3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
CID 107843919
3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide
CID 107517449
3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 107519370
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107524648
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
3-bromo-N-(5-bromopentan-2-yl)pyridine-2-carboxamide
CID 107526265
3-bromo-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 114078807

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide (CID 107519204) is 3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide is CC(C)CCCCNC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide?
The InChIKey is SCZVWBYRRHKVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10(2)6-3-4-8-16-13(17)12-11(14)7-5-9-15-12/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide?
3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide has a molecular weight of 299.21 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide is sourced from PubChem (CID 107519204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).