N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide

C11H13BrN2O2 — CID 102820636

IUPACN-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)Nc2cc(Br)ccn2)CCCO1
InChIInChI=1S/C11H13BrN2O2/c1-11(4-2-6-16-11)10(15)14-9-7-8(12)3-5-13-9/h3,5,7H,2,4,6H2,1H3,(H,13,14,15)
InChIKeyFESARHLXVFBTOV-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.35
Rot. Bonds2

About N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide

N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide (PubChem CID 102820636) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide
PubChem CID102820636
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)Nc2cc(Br)ccn2)CCCO1
InChIInChI=1S/C11H13BrN2O2/c1-11(4-2-6-16-11)10(15)14-9-7-8(12)3-5-13-9/h3,5,7H,2,4,6H2,1H3,(H,13,14,15)
InChIKeyFESARHLXVFBTOV-UHFFFAOYSA-N
XLogP2.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide (CID 102820636) is N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide is CC1(C(=O)Nc2cc(Br)ccn2)CCCO1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide?
The InChIKey is FESARHLXVFBTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-11(4-2-6-16-11)10(15)14-9-7-8(12)3-5-13-9/h3,5,7H,2,4,6H2,1H3,(H,13,14,15).
What are the key properties of N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide?
N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 102820636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).