(2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide

C14H16BrN5O2 — CID 126820516

IUPAC(2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)[C@@H]1CCO[C@H]1c1cncc(Br)c1
InChIInChI=1S/C14H16BrN5O2/c15-10-5-9(6-16-7-10)13-11(2-4-22-13)14(21)17-3-1-12-18-8-19-20-12/h5-8,11,13H,1-4H2,(H,17,21)(H,18,19,20)/t11-,13+/m1/s1
InChIKeyNXGUZVOLTSGHPE-YPMHNXCESA-N
MW366.22 g/mol
LogP1.40
Rot. Bonds5

About (2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide

(2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide (PubChem CID 126820516) has the molecular formula C14H16BrN5O2 and a molecular weight of 366.22 g/mol. Its IUPAC name is (2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
PubChem CID126820516
Molecular FormulaC14H16BrN5O2
Molecular Weight366.22 g/mol
Exact Mass365.05
IUPAC Name(2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)[C@@H]1CCO[C@H]1c1cncc(Br)c1
InChIInChI=1S/C14H16BrN5O2/c15-10-5-9(6-16-7-10)13-11(2-4-22-13)14(21)17-3-1-12-18-8-19-20-12/h5-8,11,13H,1-4H2,(H,17,21)(H,18,19,20)/t11-,13+/m1/s1
InChIKeyNXGUZVOLTSGHPE-YPMHNXCESA-N
XLogP1.40
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide (CID 126820516) is (2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide is O=C(NCCc1ncn[nH]1)[C@@H]1CCO[C@H]1c1cncc(Br)c1.
What is the InChIKey of (2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is NXGUZVOLTSGHPE-YPMHNXCESA-N. The full InChI is InChI=1S/C14H16BrN5O2/c15-10-5-9(6-16-7-10)13-11(2-4-22-13)14(21)17-3-1-12-18-8-19-20-12/h5-8,11,13H,1-4H2,(H,17,21)(H,18,19,20)/t11-,13+/m1/s1.
What are the key properties of (2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide?
(2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 366.22 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 126820516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).