(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide

C10H11BrN2O2 — CID 7346608

IUPAC(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)[C@@H]1CCCO1
InChIInChI=1S/C10H11BrN2O2/c11-7-3-4-9(12-6-7)13-10(14)8-2-1-5-15-8/h3-4,6,8H,1-2,5H2,(H,12,13,14)/t8-/m0/s1
InChIKeyIQODOEOSFMDRCI-QMMMGPOBSA-N
MW271.11 g/mol
LogP1.96
Rot. Bonds2

About (2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide

(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide (PubChem CID 7346608) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is (2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
PubChem CID7346608
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)[C@@H]1CCCO1
InChIInChI=1S/C10H11BrN2O2/c11-7-3-4-9(12-6-7)13-10(14)8-2-1-5-15-8/h3-4,6,8H,1-2,5H2,(H,12,13,14)/t8-/m0/s1
InChIKeyIQODOEOSFMDRCI-QMMMGPOBSA-N
XLogP1.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 55932163
(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide
CID 103873257
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095
1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea
CID 108887933
5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688642
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113028796
N-[6-(ethylamino)-3-pyridinyl]oxolane-2-carboxamide
CID 115268574
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113026042
N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]oxolane-2-carboxamide
CID 113028252
(3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 95761585
N-[5-[butyl(methyl)amino]-2-pyridinyl]oxolane-2-carboxamide
CID 113030509

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide (CID 7346608) is (2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide is O=C(Nc1ccc(Br)cn1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide?
The InChIKey is IQODOEOSFMDRCI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-7-3-4-9(12-6-7)13-10(14)8-2-1-5-15-8/h3-4,6,8H,1-2,5H2,(H,12,13,14)/t8-/m0/s1.
What are the key properties of (2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide?
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide has a molecular weight of 271.11 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide is sourced from PubChem (CID 7346608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).