N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide

C12H15BrN2O2 — CID 114825721

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)C1COC(C)C1
InChIInChI=1S/C12H15BrN2O2/c1-7-3-10(13)5-14-11(7)15-12(16)9-4-8(2)17-6-9/h3,5,8-9H,4,6H2,1-2H3,(H,14,15,16)
InChIKeyFLHXMRNGGBRKGE-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.52
Rot. Bonds2

About N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide

N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide (PubChem CID 114825721) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide
PubChem CID114825721
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)C1COC(C)C1
InChIInChI=1S/C12H15BrN2O2/c1-7-3-10(13)5-14-11(7)15-12(16)9-4-8(2)17-6-9/h3,5,8-9H,4,6H2,1-2H3,(H,14,15,16)
InChIKeyFLHXMRNGGBRKGE-UHFFFAOYSA-N
XLogP2.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide
CID 114824269
N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 81489355
N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide
CID 114825727
N-(5-bromo-3-methyl-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 75430216
N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114098798
N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 75430218
5-[(5-bromo-3-methyl-2-pyridinyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427452
N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide
CID 102676297
N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide
CID 107068531
3-bromo-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824546
N-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide
CID 114824273
3,5-dibromo-2-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824438

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide (CID 114825721) is N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide is Cc1cc(Br)cnc1NC(=O)C1COC(C)C1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide?
The InChIKey is FLHXMRNGGBRKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-7-3-10(13)5-14-11(7)15-12(16)9-4-8(2)17-6-9/h3,5,8-9H,4,6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide?
N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114825721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).