(3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C17H18N2O4 — CID 94184028

IUPAC(3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCCn1cc(NC(=O)[C@H]2COc3ccccc3O2)ccc1=O
InChIInChI=1S/C17H18N2O4/c1-2-9-19-10-12(7-8-16(19)20)18-17(21)15-11-22-13-5-3-4-6-14(13)23-15/h3-8,10,15H,2,9,11H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyUNPZKJRECHBBEV-OAHLLOKOSA-N
MW314.34 g/mol
LogP2.04
Rot. Bonds4

About (3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 94184028) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID94184028
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCCn1cc(NC(=O)[C@H]2COc3ccccc3O2)ccc1=O
InChIInChI=1S/C17H18N2O4/c1-2-9-19-10-12(7-8-16(19)20)18-17(21)15-11-22-13-5-3-4-6-14(13)23-15/h3-8,10,15H,2,9,11H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyUNPZKJRECHBBEV-OAHLLOKOSA-N
XLogP2.04
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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Related Compounds

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 23731931
N-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 19168010
(3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1090883
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788362
(3R)-N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7733395
(3S)-N-[(2S)-pentan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 956466
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 22434240
(3S)-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2210025
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3147781
(3R)-N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 846491
(3S)-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 731093
N-(1-propan-2-ylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134709761

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 94184028) is (3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CCCn1cc(NC(=O)[C@H]2COc3ccccc3O2)ccc1=O.
What is the InChIKey of (3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is UNPZKJRECHBBEV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-9-19-10-12(7-8-16(19)20)18-17(21)15-11-22-13-5-3-4-6-14(13)23-15/h3-8,10,15H,2,9,11H2,1H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-oxo-1-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 94184028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).