2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide

C14H21BrN2O — CID 103752405

IUPAC2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1cccnc1Br
InChIInChI=1S/C14H21BrN2O/c1-4-11(5-2)10-17(6-3)14(18)12-8-7-9-16-13(12)15/h7-9,11H,4-6,10H2,1-3H3
InChIKeyBCXJOACBHVQVDR-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.74
Rot. Bonds6

About 2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide

2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide (PubChem CID 103752405) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
PubChem CID103752405
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1cccnc1Br
InChIInChI=1S/C14H21BrN2O/c1-4-11(5-2)10-17(6-3)14(18)12-8-7-9-16-13(12)15/h7-9,11H,4-6,10H2,1-3H3
InChIKeyBCXJOACBHVQVDR-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
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-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 113255171
2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754874
3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 107951815
2-bromo-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 88634155
2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 55041522
2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 103751770
2-bromo-N-propyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754870
2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
CID 103752570
N,5-diethyl-N-(2-ethylbutyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 60621587
2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide
CID 114021292
N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide
CID 60621557
2-bromo-N-pentan-3-ylpyridine-3-carboxamide
CID 103751829

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide (CID 103752405) is 2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide is CCC(CC)CN(CC)C(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide?
The InChIKey is BCXJOACBHVQVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-11(5-2)10-17(6-3)14(18)12-8-7-9-16-13(12)15/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of 2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide?
2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 103752405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).