N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide

C12H17BrN2O — CID 106157892

IUPACN-(5-bromo-4-methylpentyl)pyridine-2-carboxamide
SMILESCC(CBr)CCCNC(=O)c1ccccn1
InChIInChI=1S/C12H17BrN2O/c1-10(9-13)5-4-8-15-12(16)11-6-2-3-7-14-11/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16)
InChIKeyVIFDWQBVXSMDCN-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.62
Rot. Bonds6

About N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide

N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide (PubChem CID 106157892) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)pyridine-2-carboxamide
PubChem CID106157892
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC NameN-(5-bromo-4-methylpentyl)pyridine-2-carboxamide
SMILESCC(CBr)CCCNC(=O)c1ccccn1
InChIInChI=1S/C12H17BrN2O/c1-10(9-13)5-4-8-15-12(16)11-6-2-3-7-14-11/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16)
InChIKeyVIFDWQBVXSMDCN-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.62
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-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide
CID 106157906
N-(9-oxononyl)pyridine-2-carboxamide
CID 130335282
N-(5-bromo-4-methylpentyl)-4-chlorobenzamide
CID 106157415
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
N-[3-[methyl-[3-(methylamino)propyl]amino]propyl]pyridine-2-carboxamide
CID 59828295
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
(E)-but-2-enedioic acid;N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide
CID 155880885

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide (CID 106157892) is N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide is CC(CBr)CCCNC(=O)c1ccccn1.
What is the InChIKey of N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide?
The InChIKey is VIFDWQBVXSMDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-10(9-13)5-4-8-15-12(16)11-6-2-3-7-14-11/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16).
What are the key properties of N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide?
N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide has a molecular weight of 285.18 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide is sourced from PubChem (CID 106157892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).