5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide

C12H16BrClN2O2 — CID 80709337

IUPAC5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
SMILESCC(C)OCCN(C)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H16BrClN2O2/c1-8(2)18-5-4-16(3)12(17)10-6-9(13)7-15-11(10)14/h6-8H,4-5H2,1-3H3
InChIKeyIWSIJBZCZCFXFH-UHFFFAOYSA-N
MW335.63 g/mol
LogP2.99
Rot. Bonds5

About 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide

5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide (PubChem CID 80709337) has the molecular formula C12H16BrClN2O2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
PubChem CID80709337
Molecular FormulaC12H16BrClN2O2
Molecular Weight335.63 g/mol
Exact Mass334.01
IUPAC Name5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
SMILESCC(C)OCCN(C)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H16BrClN2O2/c1-8(2)18-5-4-16(3)12(17)10-6-9(13)7-15-11(10)14/h6-8H,4-5H2,1-3H3
InChIKeyIWSIJBZCZCFXFH-UHFFFAOYSA-N
XLogP2.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 52.99
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-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 62001227
5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81075105
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 63694504
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709080
5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62334858
5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709255
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
5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
CID 62001192
2-chloro-N-methyl-5-nitro-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 103771796
5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide
CID 62000620
5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62000237

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide (CID 80709337) is 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide is CC(C)OCCN(C)C(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
The InChIKey is IWSIJBZCZCFXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2/c1-8(2)18-5-4-16(3)12(17)10-6-9(13)7-15-11(10)14/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide has a molecular weight of 335.63 g/mol, XLogP of 2.99, 5 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-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 80709337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).