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

C10H11IN2O2 — CID 103873257

IUPAC(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc(I)cn1)[C@@H]1CCCO1
InChIInChI=1S/C10H11IN2O2/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
InChIKeyKOIXKOYTSLDHPJ-QMMMGPOBSA-N
MW318.11 g/mol
LogP1.80
Rot. Bonds2

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

(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide (PubChem CID 103873257) has the molecular formula C10H11IN2O2 and a molecular weight of 318.11 g/mol. Its IUPAC name is (2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide
PubChem CID103873257
Molecular FormulaC10H11IN2O2
Molecular Weight318.11 g/mol
Exact Mass317.99
IUPAC Name(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc(I)cn1)[C@@H]1CCCO1
InChIInChI=1S/C10H11IN2O2/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
InChIKeyKOIXKOYTSLDHPJ-QMMMGPOBSA-N
XLogP1.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095
N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide
CID 65098737
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
N-[5-[butyl(methyl)amino]-2-pyridinyl]oxolane-2-carboxamide
CID 113030509
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]oxolane-2-carboxamide
CID 113025707
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113032322
N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113031947

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide (CID 103873257) is (2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide is O=C(Nc1ccc(I)cn1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide?
The InChIKey is KOIXKOYTSLDHPJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11IN2O2/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-iodo-2-pyridinyl)oxolane-2-carboxamide?
(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide has a molecular weight of 318.11 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide is sourced from PubChem (CID 103873257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).