(2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide

C18H20N2O3 — CID 51725557

IUPAC(2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(OCc2cccnc2)cc1)[C@H]1CCCO1
InChIInChI=1S/C18H20N2O3/c21-18(17-4-2-10-22-17)20-12-14-5-7-16(8-6-14)23-13-15-3-1-9-19-11-15/h1,3,5-9,11,17H,2,4,10,12-13H2,(H,20,21)/t17-/m1/s1
InChIKeyUHMSFTGFRUNTDG-QGZVFWFLSA-N
MW312.37 g/mol
LogP2.46
Rot. Bonds6

About (2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide

(2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide (PubChem CID 51725557) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide
PubChem CID51725557
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(OCc2cccnc2)cc1)[C@H]1CCCO1
InChIInChI=1S/C18H20N2O3/c21-18(17-4-2-10-22-17)20-12-14-5-7-16(8-6-14)23-13-15-3-1-9-19-11-15/h1,3,5-9,11,17H,2,4,10,12-13H2,(H,20,21)/t17-/m1/s1
InChIKeyUHMSFTGFRUNTDG-QGZVFWFLSA-N
XLogP2.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide (CID 51725557) is (2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide is O=C(NCc1ccc(OCc2cccnc2)cc1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is UHMSFTGFRUNTDG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-18(17-4-2-10-22-17)20-12-14-5-7-16(8-6-14)23-13-15-3-1-9-19-11-15/h1,3,5-9,11,17H,2,4,10,12-13H2,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide?
(2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 51725557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).