6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide

C11H14BrN3O2 — CID 66463493

IUPAC6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C11H14BrN3O2/c1-3-15(7-10(16)13-2)11(17)8-4-5-9(12)14-6-8/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyJEFARZOJFDMEHO-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.05
Rot. Bonds4

About 6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide

6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 66463493) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID66463493
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C11H14BrN3O2/c1-3-15(7-10(16)13-2)11(17)8-4-5-9(12)14-6-8/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyJEFARZOJFDMEHO-UHFFFAOYSA-N
XLogP1.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 61042399
6-bromo-N-ethyl-N-propylpyridine-3-carboxamide
CID 66463470
6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide
CID 66463467
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 66463938
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-methoxypyridine-3-carboxamide
CID 24546502
6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 66464248
5-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 60725372
methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61040728
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614789
6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 26357037
2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid
CID 103428848

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide (CID 66463493) is 6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide is CCN(CC(=O)NC)C(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is JEFARZOJFDMEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-3-15(7-10(16)13-2)11(17)8-4-5-9(12)14-6-8/h4-6H,3,7H2,1-2H3,(H,13,16).
What are the key properties of 6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide?
6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 66463493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).