(2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide

C17H24N4O4 — CID 138026952

IUPAC(2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide
SMILESCC(=O)Nc1cccnc1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1
InChIInChI=1S/C17H24N4O4/c1-12(22)19-14-3-2-6-18-16(14)20-17(23)15-5-4-13(25-15)11-21-7-9-24-10-8-21/h2-3,6,13,15H,4-5,7-11H2,1H3,(H,19,22)(H,18,20,23)/t13-,15+/m1/s1
InChIKeyWTJDYRFLNYEZEB-HIFRSBDPSA-N
MW348.40 g/mol
LogP0.86
Rot. Bonds5

About (2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide

(2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide (PubChem CID 138026952) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide
PubChem CID138026952
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide
SMILESCC(=O)Nc1cccnc1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1
InChIInChI=1S/C17H24N4O4/c1-12(22)19-14-3-2-6-18-16(14)20-17(23)15-5-4-13(25-15)11-21-7-9-24-10-8-21/h2-3,6,13,15H,4-5,7-11H2,1H3,(H,19,22)(H,18,20,23)/t13-,15+/m1/s1
InChIKeyWTJDYRFLNYEZEB-HIFRSBDPSA-N
XLogP0.86
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide (CID 138026952) is (2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide is CC(=O)Nc1cccnc1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1.
What is the InChIKey of (2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide?
The InChIKey is WTJDYRFLNYEZEB-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12(22)19-14-3-2-6-18-16(14)20-17(23)15-5-4-13(25-15)11-21-7-9-24-10-8-21/h2-3,6,13,15H,4-5,7-11H2,1H3,(H,19,22)(H,18,20,23)/t13-,15+/m1/s1.
What are the key properties of (2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide?
(2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-N-(3-acetamido-2-pyridinyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 138026952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).