5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide

C12H15BrN2O2 — CID 82738552

IUPAC5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
SMILESCC1OCCC1N(C)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H15BrN2O2/c1-8-11(5-6-17-8)15(2)12(16)10-4-3-9(13)7-14-10/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyNISFUYSXVGSIML-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.09
Rot. Bonds2

About 5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide

5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide (PubChem CID 82738552) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
PubChem CID82738552
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
SMILESCC1OCCC1N(C)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H15BrN2O2/c1-8-11(5-6-17-8)15(2)12(16)10-4-3-9(13)7-14-10/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyNISFUYSXVGSIML-UHFFFAOYSA-N
XLogP2.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82742095
N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide
CID 79121873
2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 114194006
5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 62954377
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide
CID 82736181
4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114244438
2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 82743180
5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82734080
4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide
CID 82738456
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692
N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-carboxamide
CID 82744433
2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 82738962

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide (CID 82738552) is 5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide is CC1OCCC1N(C)C(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide?
The InChIKey is NISFUYSXVGSIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-8-11(5-6-17-8)15(2)12(16)10-4-3-9(13)7-14-10/h3-4,7-8,11H,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide?
5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 82738552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).