N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide

C15H20N2O3 — CID 127265241

IUPACN-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide
SMILESO=C(N[C@H]1CCO[C@@H]1c1cccnc1)C1CCCCO1
InChIInChI=1S/C15H20N2O3/c18-15(13-5-1-2-8-19-13)17-12-6-9-20-14(12)11-4-3-7-16-10-11/h3-4,7,10,12-14H,1-2,5-6,8-9H2,(H,17,18)/t12-,13?,14+/m0/s1
InChIKeyWWMZQHDSXFSSGT-SMEJFCCLSA-N
MW276.34 g/mol
LogP1.60
Rot. Bonds3

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

N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide (PubChem CID 127265241) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide
PubChem CID127265241
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide
SMILESO=C(N[C@H]1CCO[C@@H]1c1cccnc1)C1CCCCO1
InChIInChI=1S/C15H20N2O3/c18-15(13-5-1-2-8-19-13)17-12-6-9-20-14(12)11-4-3-7-16-10-11/h3-4,7,10,12-14H,1-2,5-6,8-9H2,(H,17,18)/t12-,13?,14+/m0/s1
InChIKeyWWMZQHDSXFSSGT-SMEJFCCLSA-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 N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide?
The IUPAC name of N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide (CID 127265241) is N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide is O=C(N[C@H]1CCO[C@@H]1c1cccnc1)C1CCCCO1.
What is the InChIKey of N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide?
The InChIKey is WWMZQHDSXFSSGT-SMEJFCCLSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(13-5-1-2-8-19-13)17-12-6-9-20-14(12)11-4-3-7-16-10-11/h3-4,7,10,12-14H,1-2,5-6,8-9H2,(H,17,18)/t12-,13?,14+/m0/s1.
What are the key properties of N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide?
N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-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 N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide is sourced from PubChem (CID 127265241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).