N-(4-bromobutyl)-3-methylpyridine-2-carboxamide

C11H15BrN2O — CID 106845669

IUPACN-(4-bromobutyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCCCCBr
InChIInChI=1S/C11H15BrN2O/c1-9-5-4-8-13-10(9)11(15)14-7-3-2-6-12/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyXXNOGEZNEXRBRL-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.29
Rot. Bonds5

About N-(4-bromobutyl)-3-methylpyridine-2-carboxamide

N-(4-bromobutyl)-3-methylpyridine-2-carboxamide (PubChem CID 106845669) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(4-bromobutyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromobutyl)-3-methylpyridine-2-carboxamide
PubChem CID106845669
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(4-bromobutyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCCCCBr
InChIInChI=1S/C11H15BrN2O/c1-9-5-4-8-13-10(9)11(15)14-7-3-2-6-12/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyXXNOGEZNEXRBRL-UHFFFAOYSA-N
XLogP2.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromopropyl)-3-methylpyridine-2-carboxamide
CID 62338959
8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid
CID 120535627
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide
CID 163545247
N-(2-azidoethyl)-3-methylpyridine-2-carboxamide
CID 55210380
2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 107832742
N-(6-bromohexyl)isoquinoline-1-carboxamide
CID 107847868
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide
CID 114311647
ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate
CID 62734876
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-bromobutyl)-3-methylpyridine-2-carboxamide (CID 106845669) is N-(4-bromobutyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromobutyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-bromobutyl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NCCCCBr.
What is the InChIKey of N-(4-bromobutyl)-3-methylpyridine-2-carboxamide?
The InChIKey is XXNOGEZNEXRBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-9-5-4-8-13-10(9)11(15)14-7-3-2-6-12/h4-5,8H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of N-(4-bromobutyl)-3-methylpyridine-2-carboxamide?
N-(4-bromobutyl)-3-methylpyridine-2-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 106845669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).