N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide

C12H15BrN2O2 — CID 103909567

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)C1CCC(C)O1
InChIInChI=1S/C12H15BrN2O2/c1-7-3-5-10(17-7)12(16)15-9-4-6-11(13)14-8(9)2/h4,6-7,10H,3,5H2,1-2H3,(H,15,16)
InChIKeyLEVPLTTXUYSBGF-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.66
Rot. Bonds2

About N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide

N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide (PubChem CID 103909567) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide
PubChem CID103909567
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)C1CCC(C)O1
InChIInChI=1S/C12H15BrN2O2/c1-7-3-5-10(17-7)12(16)15-9-4-6-11(13)14-8(9)2/h4,6-7,10H,3,5H2,1-2H3,(H,15,16)
InChIKeyLEVPLTTXUYSBGF-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide
CID 81004083
N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide
CID 103909516
N-(4-bromophenyl)-5-methyloxolane-2-carboxamide
CID 80949197
N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide
CID 103479768
4-bromo-3-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
CID 107812525
N-(4-bromo-2-carbamothioylphenyl)-5-methyloxolane-2-carboxamide
CID 82704113
5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
CID 81325335
N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide
CID 141355361
N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103909809
N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide
CID 81324107
N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 103909491
3-methyl-4-[(5-methyloxolane-2-carbonyl)amino]benzenesulfonyl chloride
CID 81330911

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide (CID 103909567) is N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide is Cc1nc(Br)ccc1NC(=O)C1CCC(C)O1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide?
The InChIKey is LEVPLTTXUYSBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-7-3-5-10(17-7)12(16)15-9-4-6-11(13)14-8(9)2/h4,6-7,10H,3,5H2,1-2H3,(H,15,16).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide?
N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 103909567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).