5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide

C10H13BrN2O2S — CID 121320697

IUPAC5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCCSc1cc(Br)cnc1C(=O)N(C)OC
InChIInChI=1S/C10H13BrN2O2S/c1-4-16-8-5-7(11)6-12-9(8)10(14)13(2)15-3/h5-6H,4H2,1-3H3
InChIKeyZLWVRUNSKHMJFW-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.59
Rot. Bonds4

About 5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide

5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 121320697) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide
PubChem CID121320697
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCCSc1cc(Br)cnc1C(=O)N(C)OC
InChIInChI=1S/C10H13BrN2O2S/c1-4-16-8-5-7(11)6-12-9(8)10(14)13(2)15-3/h5-6H,4H2,1-3H3
InChIKeyZLWVRUNSKHMJFW-UHFFFAOYSA-N
XLogP2.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide
CID 133061431
5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide
CID 156880706
N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
CID 118865137
[1-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-1-oxopropan-2-yl] 3-oxopropanoate
CID 175586903
3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
CID 133054949
5-bromo-3-ethylsulfanyl-N-[1,1,3,3-tetrafluoro-6-(methylamino)-2-benzofuran-5-yl]pyridine-2-carboxamide
CID 146339734
4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide
CID 167451248
1-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-2-[3-nitro-5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 167506629
ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate
CID 135319653
5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide
CID 58378019
6-ethoxycarbonyl-5-ethylsulfanylpyridine-3-carboxylic acid
CID 122462154
CID 163834980
CID 163834980

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide (CID 121320697) is 5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide is CCSc1cc(Br)cnc1C(=O)N(C)OC.
What is the InChIKey of 5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is ZLWVRUNSKHMJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c1-4-16-8-5-7(11)6-12-9(8)10(14)13(2)15-3/h5-6H,4H2,1-3H3.
What are the key properties of 5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide?
5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide has a molecular weight of 305.20 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 121320697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).