2-bromo-N-butyl-N-ethylpyridine-4-carboxamide

C12H17BrN2O — CID 103751876

IUPAC2-bromo-N-butyl-N-ethylpyridine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-3-5-8-15(4-2)12(16)10-6-7-14-11(13)9-10/h6-7,9H,3-5,8H2,1-2H3
InChIKeySCHMPCLLYWMKQF-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.11
Rot. Bonds5

About 2-bromo-N-butyl-N-ethylpyridine-4-carboxamide

2-bromo-N-butyl-N-ethylpyridine-4-carboxamide (PubChem CID 103751876) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-bromo-N-butyl-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-butyl-N-ethylpyridine-4-carboxamide
PubChem CID103751876
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name2-bromo-N-butyl-N-ethylpyridine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-3-5-8-15(4-2)12(16)10-6-7-14-11(13)9-10/h6-7,9H,3-5,8H2,1-2H3
InChIKeySCHMPCLLYWMKQF-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.11
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

2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide
CID 103755268
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974
N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide
CID 106754273
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379
2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
2-bromo-N,N-bis(2-cyanoethyl)pyridine-4-carboxamide
CID 113255617
3-bromo-N-butyl-N-ethyl-4-methoxybenzamide
CID 60667723
2-bromo-N-hexylpyridine-4-carboxamide
CID 103752172
N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide
CID 43090789
6-bromo-N-ethyl-N-propylpyridine-3-carboxamide
CID 66463470
2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 103885127
4-[butyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-2-carboxylic acid
CID 119181552

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butyl-N-ethylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-butyl-N-ethylpyridine-4-carboxamide (CID 103751876) is 2-bromo-N-butyl-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-butyl-N-ethylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-butyl-N-ethylpyridine-4-carboxamide is CCCCN(CC)C(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-butyl-N-ethylpyridine-4-carboxamide?
The InChIKey is SCHMPCLLYWMKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-5-8-15(4-2)12(16)10-6-7-14-11(13)9-10/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 2-bromo-N-butyl-N-ethylpyridine-4-carboxamide?
2-bromo-N-butyl-N-ethylpyridine-4-carboxamide has a molecular weight of 285.18 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butyl-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 103751876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).