N-(3-bromobutyl)-6-methylpyridine-3-carboxamide

C11H15BrN2O — CID 114312474

IUPACN-(3-bromobutyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCC(C)Br)cn1
InChIInChI=1S/C11H15BrN2O/c1-8(12)5-6-13-11(15)10-4-3-9(2)14-7-10/h3-4,7-8H,5-6H2,1-2H3,(H,13,15)
InChIKeyBYYQIKIRQBMENB-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.29
Rot. Bonds4

About N-(3-bromobutyl)-6-methylpyridine-3-carboxamide

N-(3-bromobutyl)-6-methylpyridine-3-carboxamide (PubChem CID 114312474) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(3-bromobutyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromobutyl)-6-methylpyridine-3-carboxamide
PubChem CID114312474
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(3-bromobutyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCC(C)Br)cn1
InChIInChI=1S/C11H15BrN2O/c1-8(12)5-6-13-11(15)10-4-3-9(2)14-7-10/h3-4,7-8H,5-6H2,1-2H3,(H,13,15)
InChIKeyBYYQIKIRQBMENB-UHFFFAOYSA-N
XLogP2.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
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

6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
N-(3-chloro-4-methoxybutyl)-6-methylpyridine-3-carboxamide
CID 106244040
N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide
CID 114315764
N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 114317633
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206
N-(2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 115612931
6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide
CID 6498633
N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide
CID 6498671
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 30389923

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(3-bromobutyl)-6-methylpyridine-3-carboxamide (CID 114312474) is N-(3-bromobutyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromobutyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3-bromobutyl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCC(C)Br)cn1.
What is the InChIKey of N-(3-bromobutyl)-6-methylpyridine-3-carboxamide?
The InChIKey is BYYQIKIRQBMENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(12)5-6-13-11(15)10-4-3-9(2)14-7-10/h3-4,7-8H,5-6H2,1-2H3,(H,13,15).
What are the key properties of N-(3-bromobutyl)-6-methylpyridine-3-carboxamide?
N-(3-bromobutyl)-6-methylpyridine-3-carboxamide has a molecular weight of 271.16 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-(3-bromobutyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 114312474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).