(2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide

C14H21N3O2 — CID 28891620

IUPAC(2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)[C@@H]2CCCO2)cn1
InChIInChI=1S/C14H21N3O2/c1-3-17(4-2)13-8-7-11(10-15-13)16-14(18)12-6-5-9-19-12/h7-8,10,12H,3-6,9H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyMGLVAHRQAXNXKN-LBPRGKRZSA-N
MW263.34 g/mol
LogP2.05
Rot. Bonds5

About (2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide

(2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide (PubChem CID 28891620) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide
PubChem CID28891620
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)[C@@H]2CCCO2)cn1
InChIInChI=1S/C14H21N3O2/c1-3-17(4-2)13-8-7-11(10-15-13)16-14(18)12-6-5-9-19-12/h7-8,10,12H,3-6,9H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyMGLVAHRQAXNXKN-LBPRGKRZSA-N
XLogP2.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide (CID 28891620) is (2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide is CCN(CC)c1ccc(NC(=O)[C@@H]2CCCO2)cn1.
What is the InChIKey of (2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide?
The InChIKey is MGLVAHRQAXNXKN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-17(4-2)13-8-7-11(10-15-13)16-14(18)12-6-5-9-19-12/h7-8,10,12H,3-6,9H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide?
(2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-(diethylamino)-3-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 28891620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).