(2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C16H16N2O3 — CID 30008379

IUPAC(2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)nc1
InChIInChI=1S/C16H16N2O3/c1-10-7-8-14(17-9-10)18-16(19)15-11(2)20-12-5-3-4-6-13(12)21-15/h3-9,11,15H,1-2H3,(H,17,18,19)/t11-,15-/m0/s1
InChIKeyGRCITRWDYANHTB-NHYWBVRUSA-N
MW284.31 g/mol
LogP2.56
Rot. Bonds2

About (2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 30008379) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID30008379
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)nc1
InChIInChI=1S/C16H16N2O3/c1-10-7-8-14(17-9-10)18-16(19)15-11(2)20-12-5-3-4-6-13(12)21-15/h3-9,11,15H,1-2H3,(H,17,18,19)/t11-,15-/m0/s1
InChIKeyGRCITRWDYANHTB-NHYWBVRUSA-N
XLogP2.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 30008379) is (2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)nc1.
What is the InChIKey of (2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is GRCITRWDYANHTB-NHYWBVRUSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-7-8-14(17-9-10)18-16(19)15-11(2)20-12-5-3-4-6-13(12)21-15/h3-9,11,15H,1-2H3,(H,17,18,19)/t11-,15-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 30008379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).