6-bromo-N-ethyl-N-propylpyridine-3-carboxamide

C11H15BrN2O — CID 66463470

IUPAC6-bromo-N-ethyl-N-propylpyridine-3-carboxamide
SMILESCCCN(CC)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C11H15BrN2O/c1-3-7-14(4-2)11(15)9-5-6-10(12)13-8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyGFTVFSXLDWDKOX-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.72
Rot. Bonds4

About 6-bromo-N-ethyl-N-propylpyridine-3-carboxamide

6-bromo-N-ethyl-N-propylpyridine-3-carboxamide (PubChem CID 66463470) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 6-bromo-N-ethyl-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-ethyl-N-propylpyridine-3-carboxamide
PubChem CID66463470
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name6-bromo-N-ethyl-N-propylpyridine-3-carboxamide
SMILESCCCN(CC)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C11H15BrN2O/c1-3-7-14(4-2)11(15)9-5-6-10(12)13-8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyGFTVFSXLDWDKOX-UHFFFAOYSA-N
XLogP2.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.72
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-amino-N-ethyl-N-propylpyridine-3-carboxamide
CID 62153905
6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 66463493
6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide
CID 66463467
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972
6-bromo-N-butan-2-yl-N-butylpyridine-3-carboxamide
CID 66462341
5-N,5-N-dipropylpyridine-2,5-dicarboxamide
CID 47460392
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 66463938
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
6-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 66462930
6-amino-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 62162096
6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 66465068
6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 66464248

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-ethyl-N-propylpyridine-3-carboxamide (CID 66463470) is 6-bromo-N-ethyl-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-ethyl-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-ethyl-N-propylpyridine-3-carboxamide is CCCN(CC)C(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-ethyl-N-propylpyridine-3-carboxamide?
The InChIKey is GFTVFSXLDWDKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-7-14(4-2)11(15)9-5-6-10(12)13-8-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 6-bromo-N-ethyl-N-propylpyridine-3-carboxamide?
6-bromo-N-ethyl-N-propylpyridine-3-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 66463470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).