(2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide

C15H20N2O3 — CID 129347009

IUPAC(2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide
SMILESC[C@H]1CC[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2cccnc2)O1
InChIInChI=1S/C15H20N2O3/c1-10-4-5-13(20-10)15(18)17-12-6-8-19-14(12)11-3-2-7-16-9-11/h2-3,7,9-10,12-14H,4-6,8H2,1H3,(H,17,18)/t10-,12-,13-,14+/m0/s1
InChIKeyHSWYRIRWBKMLTO-DOERSZECSA-N
MW276.34 g/mol
LogP1.60
Rot. Bonds3

About (2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide

(2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide (PubChem CID 129347009) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide
PubChem CID129347009
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide
SMILESC[C@H]1CC[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2cccnc2)O1
InChIInChI=1S/C15H20N2O3/c1-10-4-5-13(20-10)15(18)17-12-6-8-19-14(12)11-3-2-7-16-9-11/h2-3,7,9-10,12-14H,4-6,8H2,1H3,(H,17,18)/t10-,12-,13-,14+/m0/s1
InChIKeyHSWYRIRWBKMLTO-DOERSZECSA-N
XLogP1.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide?
The IUPAC name of (2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide (CID 129347009) is (2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide is C[C@H]1CC[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2cccnc2)O1.
What is the InChIKey of (2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide?
The InChIKey is HSWYRIRWBKMLTO-DOERSZECSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-4-5-13(20-10)15(18)17-12-6-8-19-14(12)11-3-2-7-16-9-11/h2-3,7,9-10,12-14H,4-6,8H2,1H3,(H,17,18)/t10-,12-,13-,14+/m0/s1.
What are the key properties of (2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide?
(2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 129347009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).