2-bromo-N-hexylpyridine-4-carboxamide

C12H17BrN2O — CID 103752172

IUPAC2-bromo-N-hexylpyridine-4-carboxamide
SMILESCCCCCCNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-2-3-4-5-7-15-12(16)10-6-8-14-11(13)9-10/h6,8-9H,2-5,7H2,1H3,(H,15,16)
InChIKeyDFEIKEMMAIWHQH-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.15
Rot. Bonds6

About 2-bromo-N-hexylpyridine-4-carboxamide

2-bromo-N-hexylpyridine-4-carboxamide (PubChem CID 103752172) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-bromo-N-hexylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-hexylpyridine-4-carboxamide
PubChem CID103752172
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name2-bromo-N-hexylpyridine-4-carboxamide
SMILESCCCCCCNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-2-3-4-5-7-15-12(16)10-6-8-14-11(13)9-10/h6,8-9H,2-5,7H2,1H3,(H,15,16)
InChIKeyDFEIKEMMAIWHQH-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 103755357
methyl 4-[(2-bromopyridine-4-carbonyl)amino]butanoate
CID 103752037
2-bromo-N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 103754460
N-hexylpyridine-4-carboxamide
CID 3423732
4-bromo-N-dodecylpyridine-2-carboxamide
CID 132587561
2-(diethylamino)-N-pentylpyridine-4-carboxamide
CID 109174759
3-bromo-N-dodecylbenzamide
CID 603918
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
2-bromo-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 103752757
N-pentylpyridine-4-carboxamide
CID 2307296
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-hexylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-hexylpyridine-4-carboxamide (CID 103752172) is 2-bromo-N-hexylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-hexylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-hexylpyridine-4-carboxamide is CCCCCCNC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-hexylpyridine-4-carboxamide?
The InChIKey is DFEIKEMMAIWHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-2-3-4-5-7-15-12(16)10-6-8-14-11(13)9-10/h6,8-9H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-hexylpyridine-4-carboxamide?
2-bromo-N-hexylpyridine-4-carboxamide has a molecular weight of 285.18 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-hexylpyridine-4-carboxamide is sourced from PubChem (CID 103752172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).