N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide

C14H21BrN2O — CID 113275834

IUPACN-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide
SMILESCCC(CC)(CBr)NC(=O)c1ccc(C)nc1C
InChIInChI=1S/C14H21BrN2O/c1-5-14(6-2,9-15)17-13(18)12-8-7-10(3)16-11(12)4/h7-8H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyVVGWZRCIPHUXOI-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.38
Rot. Bonds5

About N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide

N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 113275834) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID113275834
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide
SMILESCCC(CC)(CBr)NC(=O)c1ccc(C)nc1C
InChIInChI=1S/C14H21BrN2O/c1-5-14(6-2,9-15)17-13(18)12-8-7-10(3)16-11(12)4/h7-8H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyVVGWZRCIPHUXOI-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 2795899
2-methyl-N-(2-methyl-5,8-dioxoquinolin-7-yl)propanamide
CID 10634934
7-Acetamido-2-methylquinoline-5,8-dione
CID 9834526
7-Butyramido-2-methylquinoline-5,8-dione
CID 11172933
2,6-Dimethylpyridine-3-carboxamide
CID 2824850
N-(2-methyl-5,8-dioxo-5,8-dihydroquinolin-7-yl)propionamide
CID 44444116
N-(2-methyl-5,8-dioxoquinolin-7-yl)-3-phenylpropanamide
CID 44444117
(E)-N-(2-methyl-5,8-dioxoquinolin-7-yl)-3-phenylprop-2-enamide
CID 44444118
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2796125
2-Methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonylguanidine
CID 9820362
2,6-Dimethylnicotinaldehyde
CID 2784753
6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 10104445

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide (CID 113275834) is N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide is CCC(CC)(CBr)NC(=O)c1ccc(C)nc1C.
What is the InChIKey of N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is VVGWZRCIPHUXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-5-14(6-2,9-15)17-13(18)12-8-7-10(3)16-11(12)4/h7-8H,5-6,9H2,1-4H3,(H,17,18).
What are the key properties of N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide?
N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 113275834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).