5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide

C13H11BrClN3O — CID 113236092

IUPAC5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cc(Br)cnc1Cl)c1ccncc1
InChIInChI=1S/C13H11BrClN3O/c1-2-18(10-3-5-16-6-4-10)13(19)11-7-9(14)8-17-12(11)15/h3-8H,2H2,1H3
InChIKeyMEZZECQGTXGJIJ-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.56
Rot. Bonds3

About 5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide

5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 113236092) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide
PubChem CID113236092
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cc(Br)cnc1Cl)c1ccncc1
InChIInChI=1S/C13H11BrClN3O/c1-2-18(10-3-5-16-6-4-10)13(19)11-7-9(14)8-17-12(11)15/h3-8H,2H2,1H3
InChIKeyMEZZECQGTXGJIJ-UHFFFAOYSA-N
XLogP3.56
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106937594
5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide
CID 62000620
2-amino-5-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62161411
2-chloro-N-ethyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 113236093
3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide
CID 104854747
5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 113339390
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 63694504
5-bromo-N-ethyl-N-(4-fluorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62236094
5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62334858
N-ethyl-3-hydroxy-2-methyl-N-pyridin-4-ylbenzamide
CID 106936106
5-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 115968474
5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389658

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide (CID 113236092) is 5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide is CCN(C(=O)c1cc(Br)cnc1Cl)c1ccncc1.
What is the InChIKey of 5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is MEZZECQGTXGJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c1-2-18(10-3-5-16-6-4-10)13(19)11-7-9(14)8-17-12(11)15/h3-8H,2H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide?
5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 340.61 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 113236092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).