(2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide

C15H19N3O3 — CID 136585262

IUPAC(2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide
SMILESCC(=O)Nc1cccnc1NC(=O)[C@@H]1CCO[C@H]1C1CC1
InChIInChI=1S/C15H19N3O3/c1-9(19)17-12-3-2-7-16-14(12)18-15(20)11-6-8-21-13(11)10-4-5-10/h2-3,7,10-11,13H,4-6,8H2,1H3,(H,17,19)(H,16,18,20)/t11-,13+/m1/s1
InChIKeyHWRGTFAIMDISQH-YPMHNXCESA-N
MW289.34 g/mol
LogP1.79
Rot. Bonds4

About (2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide

(2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide (PubChem CID 136585262) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide
PubChem CID136585262
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name(2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide
SMILESCC(=O)Nc1cccnc1NC(=O)[C@@H]1CCO[C@H]1C1CC1
InChIInChI=1S/C15H19N3O3/c1-9(19)17-12-3-2-7-16-14(12)18-15(20)11-6-8-21-13(11)10-4-5-10/h2-3,7,10-11,13H,4-6,8H2,1H3,(H,17,19)(H,16,18,20)/t11-,13+/m1/s1
InChIKeyHWRGTFAIMDISQH-YPMHNXCESA-N
XLogP1.79
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide?
The IUPAC name of (2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide (CID 136585262) is (2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide?
The canonical SMILES for (2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide is CC(=O)Nc1cccnc1NC(=O)[C@@H]1CCO[C@H]1C1CC1.
What is the InChIKey of (2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide?
The InChIKey is HWRGTFAIMDISQH-YPMHNXCESA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(19)17-12-3-2-7-16-14(12)18-15(20)11-6-8-21-13(11)10-4-5-10/h2-3,7,10-11,13H,4-6,8H2,1H3,(H,17,19)(H,16,18,20)/t11-,13+/m1/s1.
What are the key properties of (2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide?
(2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(3-acetamido-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide is sourced from PubChem (CID 136585262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).