2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide

C14H21BrN2O — CID 103755268

IUPAC2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide
SMILESCCCCN(C(=O)c1ccnc(Br)c1)C(C)CC
InChIInChI=1S/C14H21BrN2O/c1-4-6-9-17(11(3)5-2)14(18)12-7-8-16-13(15)10-12/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyLAUXIGCVKDHSIK-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.88
Rot. Bonds6

About 2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide

2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide (PubChem CID 103755268) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide
PubChem CID103755268
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide
SMILESCCCCN(C(=O)c1ccnc(Br)c1)C(C)CC
InChIInChI=1S/C14H21BrN2O/c1-4-6-9-17(11(3)5-2)14(18)12-7-8-16-13(15)10-12/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyLAUXIGCVKDHSIK-UHFFFAOYSA-N
XLogP3.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-butan-2-yl-N-butylpyridine-3-carboxamide
CID 66462341
2-bromo-N-butyl-N-ethylpyridine-4-carboxamide
CID 103751876
2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 103755064
N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide
CID 60959614
N-butan-2-yl-N-butylfuran-3-carboxamide
CID 78858377
5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 62953059
N-butan-2-yl-N-butyl-4-iodobenzamide
CID 60660036
2-bromo-N-hexylpyridine-4-carboxamide
CID 103752172
3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 113447633
2-bromo-N-butan-2-ylpyridine-4-carboxamide
CID 103751691
N-butan-2-yl-N-butyl-2,6-dihydroxybenzamide
CID 107689251
2-bromo-N-pentan-3-ylpyridine-4-carboxamide
CID 103751828

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide (CID 103755268) is 2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide is CCCCN(C(=O)c1ccnc(Br)c1)C(C)CC.
What is the InChIKey of 2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide?
The InChIKey is LAUXIGCVKDHSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-6-9-17(11(3)5-2)14(18)12-7-8-16-13(15)10-12/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide?
2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide is sourced from PubChem (CID 103755268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).