N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H16N2O4 — CID 121022646

IUPACN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCc1cncc(-c2ccco2)c1)C1COc2ccccc2O1
InChIInChI=1S/C19H16N2O4/c22-19(18-12-24-16-4-1-2-5-17(16)25-18)21-10-13-8-14(11-20-9-13)15-6-3-7-23-15/h1-9,11,18H,10,12H2,(H,21,22)
InChIKeyWYSWNYVHZJFMHK-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.80
Rot. Bonds4

About N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 121022646) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID121022646
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCc1cncc(-c2ccco2)c1)C1COc2ccccc2O1
InChIInChI=1S/C19H16N2O4/c22-19(18-12-24-16-4-1-2-5-17(16)25-18)21-10-13-8-14(11-20-9-13)15-6-3-7-23-15/h1-9,11,18H,10,12H2,(H,21,22)
InChIKeyWYSWNYVHZJFMHK-UHFFFAOYSA-N
XLogP2.80
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1092700
(3R)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9049885
2-(1-adamantyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]acetamide
CID 121197067
N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 108749292
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-phenylmethoxyacetamide
CID 121197178
N-[[3-(phenoxymethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55904380
(3S)-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94197913
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 71842552
(3S)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 25495848
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 79531291
N-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 47087961

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 121022646) is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NCc1cncc(-c2ccco2)c1)C1COc2ccccc2O1.
What is the InChIKey of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is WYSWNYVHZJFMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-19(18-12-24-16-4-1-2-5-17(16)25-18)21-10-13-8-14(11-20-9-13)15-6-3-7-23-15/h1-9,11,18H,10,12H2,(H,21,22).
What are the key properties of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 121022646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).