6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide

C11H15BrN2O — CID 66463467

IUPAC6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Br)nc1)C(C)C
InChIInChI=1S/C11H15BrN2O/c1-4-14(8(2)3)11(15)9-5-6-10(12)13-7-9/h5-8H,4H2,1-3H3
InChIKeyZCEZKADLZHQSHF-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.71
Rot. Bonds3

About 6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide

6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 66463467) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID66463467
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Br)nc1)C(C)C
InChIInChI=1S/C11H15BrN2O/c1-4-14(8(2)3)11(15)9-5-6-10(12)13-7-9/h5-8H,4H2,1-3H3
InChIKeyZCEZKADLZHQSHF-UHFFFAOYSA-N
XLogP2.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.71
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-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 66465068
N-ethyl-6-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 63973149
6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79484236
6-bromo-N-butan-2-yl-N-butylpyridine-3-carboxamide
CID 66462341
6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 66463920
6-bromo-N-ethyl-N-propylpyridine-3-carboxamide
CID 66463470
3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide
CID 79466412
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 66463938
6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 115669895
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
CID 43274567
6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 66463493

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide (CID 66463467) is 6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide is CCN(C(=O)c1ccc(Br)nc1)C(C)C.
What is the InChIKey of 6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is ZCEZKADLZHQSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-4-14(8(2)3)11(15)9-5-6-10(12)13-7-9/h5-8H,4H2,1-3H3.
What are the key properties of 6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide?
6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.71, 3 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-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 66463467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).