(2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide

C11H13BrN2O2 — CID 126841520

IUPAC(2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide
SMILESCc1ccnc(NC(=O)[C@H]2CCCO2)c1Br
InChIInChI=1S/C11H13BrN2O2/c1-7-4-5-13-10(9(7)12)14-11(15)8-3-2-6-16-8/h4-5,8H,2-3,6H2,1H3,(H,13,14,15)/t8-/m1/s1
InChIKeyUMJSYVNDNRPZLQ-MRVPVSSYSA-N
MW285.14 g/mol
LogP2.27
Rot. Bonds2

About (2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide

(2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide (PubChem CID 126841520) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide
PubChem CID126841520
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide
SMILESCc1ccnc(NC(=O)[C@H]2CCCO2)c1Br
InChIInChI=1S/C11H13BrN2O2/c1-7-4-5-13-10(9(7)12)14-11(15)8-3-2-6-16-8/h4-5,8H,2-3,6H2,1H3,(H,13,14,15)/t8-/m1/s1
InChIKeyUMJSYVNDNRPZLQ-MRVPVSSYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide (CID 126841520) is (2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide is Cc1ccnc(NC(=O)[C@H]2CCCO2)c1Br.
What is the InChIKey of (2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide?
The InChIKey is UMJSYVNDNRPZLQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-7-4-5-13-10(9(7)12)14-11(15)8-3-2-6-16-8/h4-5,8H,2-3,6H2,1H3,(H,13,14,15)/t8-/m1/s1.
What are the key properties of (2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide?
(2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-bromo-4-methyl-2-pyridinyl)oxolane-2-carboxamide is sourced from PubChem (CID 126841520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).