N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide

C18H20N2O5 — CID 71707746

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cc(O)cc(=O)n1CCC(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C18H20N2O5/c1-12-9-14(21)11-18(23)20(12)6-5-17(22)19-13-3-4-15-16(10-13)25-8-2-7-24-15/h3-4,9-11,21H,2,5-8H2,1H3,(H,19,22)
InChIKeySDZSZKZOTOWDTD-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.05
Rot. Bonds4

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide (PubChem CID 71707746) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide
PubChem CID71707746
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cc(O)cc(=O)n1CCC(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C18H20N2O5/c1-12-9-14(21)11-18(23)20(12)6-5-17(22)19-13-3-4-15-16(10-13)25-8-2-7-24-15/h3-4,9-11,21H,2,5-8H2,1H3,(H,19,22)
InChIKeySDZSZKZOTOWDTD-UHFFFAOYSA-N
XLogP2.05
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
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methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropanoate
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N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide (CID 71707746) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide is Cc1cc(O)cc(=O)n1CCC(=O)Nc1ccc2c(c1)OCCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide?
The InChIKey is SDZSZKZOTOWDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12-9-14(21)11-18(23)20(12)6-5-17(22)19-13-3-4-15-16(10-13)25-8-2-7-24-15/h3-4,9-11,21H,2,5-8H2,1H3,(H,19,22).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide has a molecular weight of 344.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 71707746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).