6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide

C15H23BrN2O — CID 79484236

IUPAC6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C15H23BrN2O/c1-5-13(6-2)18(10-11(3)4)15(19)12-7-8-14(16)17-9-12/h7-9,11,13H,5-6,10H2,1-4H3
InChIKeyTYIPHJHTDVKLRL-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.13
Rot. Bonds6

About 6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide

6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide (PubChem CID 79484236) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
PubChem CID79484236
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C15H23BrN2O/c1-5-13(6-2)18(10-11(3)4)15(19)12-7-8-14(16)17-9-12/h7-9,11,13H,5-6,10H2,1-4H3
InChIKeyTYIPHJHTDVKLRL-UHFFFAOYSA-N
XLogP4.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide
CID 66463467
6-bromo-N-butan-2-yl-N-butylpyridine-3-carboxamide
CID 66462341
4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79490314
6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 66465068
4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
CID 119816015
2-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79501668
3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79483264
5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide
CID 79483346
2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79483241
2-methylpropyl 6-bromopyridine-3-carboxylate
CID 66465142
6-bromo-N-ethyl-N-propylpyridine-3-carboxamide
CID 66463470
5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79693520

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide (CID 79484236) is 6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide is CCC(CC)N(CC(C)C)C(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide?
The InChIKey is TYIPHJHTDVKLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-5-13(6-2)18(10-11(3)4)15(19)12-7-8-14(16)17-9-12/h7-9,11,13H,5-6,10H2,1-4H3.
What are the key properties of 6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide?
6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide has a molecular weight of 327.27 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 79484236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).