(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide

C18H18N2O4 — CID 95616968

IUPAC(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)[C@@H]1CCCO1
InChIInChI=1S/C18H18N2O4/c21-18(15-4-2-8-22-15)20-17-5-1-3-13(19-17)12-6-7-14-16(11-12)24-10-9-23-14/h1,3,5-7,11,15H,2,4,8-10H2,(H,19,20,21)/t15-/m0/s1
InChIKeySTAWBWPEPCKPQO-HNNXBMFYSA-N
MW326.35 g/mol
LogP2.64
Rot. Bonds3

About (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide

(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide (PubChem CID 95616968) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide
PubChem CID95616968
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)[C@@H]1CCCO1
InChIInChI=1S/C18H18N2O4/c21-18(15-4-2-8-22-15)20-17-5-1-3-13(19-17)12-6-7-14-16(11-12)24-10-9-23-14/h1,3,5-7,11,15H,2,4,8-10H2,(H,19,20,21)/t15-/m0/s1
InChIKeySTAWBWPEPCKPQO-HNNXBMFYSA-N
XLogP2.64
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide (CID 95616968) is (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide is O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide?
The InChIKey is STAWBWPEPCKPQO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-18(15-4-2-8-22-15)20-17-5-1-3-13(19-17)12-6-7-14-16(11-12)24-10-9-23-14/h1,3,5-7,11,15H,2,4,8-10H2,(H,19,20,21)/t15-/m0/s1.
What are the key properties of (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide?
(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 95616968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).