N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide

C12H15BrN2O — CID 114315764

IUPACN-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(Br)C2CC2)cn1
InChIInChI=1S/C12H15BrN2O/c1-8-2-3-10(6-14-8)12(16)15-7-11(13)9-4-5-9/h2-3,6,9,11H,4-5,7H2,1H3,(H,15,16)
InChIKeyJHSQDLPJXZEXEP-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.29
Rot. Bonds4

About N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide

N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide (PubChem CID 114315764) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide
PubChem CID114315764
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(Br)C2CC2)cn1
InChIInChI=1S/C12H15BrN2O/c1-8-2-3-10(6-14-8)12(16)15-7-11(13)9-4-5-9/h2-3,6,9,11H,4-5,7H2,1H3,(H,15,16)
InChIKeyJHSQDLPJXZEXEP-UHFFFAOYSA-N
XLogP2.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.29
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-bromo-2-cyclopropylethyl)-4-tert-butylbenzamide
CID 114315768
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
N-(2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 115612931
N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 124844251
N-(2-bromo-2-cyclopropylethyl)-3-fluoro-4-methylbenzamide
CID 114315854
N-(2-bromo-2-cyclopropylethyl)-2-methylpyridine-3-carboxamide
CID 114315880
6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115669873
N-(3-bromobutyl)-6-methylpyridine-3-carboxamide
CID 114312474
6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide
CID 66462778
N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 114317633
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide
CID 114315736

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide (CID 114315764) is N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC(Br)C2CC2)cn1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide?
The InChIKey is JHSQDLPJXZEXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-2-3-10(6-14-8)12(16)15-7-11(13)9-4-5-9/h2-3,6,9,11H,4-5,7H2,1H3,(H,15,16).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide?
N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 114315764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).