(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide

C15H16N2O2S — CID 100745825

IUPAC(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccnc1-c1cccs1)[C@H]1CCCO1
InChIInChI=1S/C15H16N2O2S/c18-15(12-5-2-8-19-12)17-10-11-4-1-7-16-14(11)13-6-3-9-20-13/h1,3-4,6-7,9,12H,2,5,8,10H2,(H,17,18)/t12-/m1/s1
InChIKeyZWQBIHSNYSOCQF-GFCCVEGCSA-N
MW288.37 g/mol
LogP2.61
Rot. Bonds4

About (2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide

(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide (PubChem CID 100745825) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide
PubChem CID100745825
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccnc1-c1cccs1)[C@H]1CCCO1
InChIInChI=1S/C15H16N2O2S/c18-15(12-5-2-8-19-12)17-10-11-4-1-7-16-14(11)13-6-3-9-20-13/h1,3-4,6-7,9,12H,2,5,8,10H2,(H,17,18)/t12-/m1/s1
InChIKeyZWQBIHSNYSOCQF-GFCCVEGCSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide (CID 100745825) is (2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide is O=C(NCc1cccnc1-c1cccs1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide?
The InChIKey is ZWQBIHSNYSOCQF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-15(12-5-2-8-19-12)17-10-11-4-1-7-16-14(11)13-6-3-9-20-13/h1,3-4,6-7,9,12H,2,5,8,10H2,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide?
(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 100745825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).