N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C15H14N2O4 — CID 154863799

IUPACN-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NOCc1cccnc1)C1COc2ccccc2O1
InChIInChI=1S/C15H14N2O4/c18-15(17-20-9-11-4-3-7-16-8-11)14-10-19-12-5-1-2-6-13(12)21-14/h1-8,14H,9-10H2,(H,17,18)
InChIKeyVZCBTCDLSBSJKS-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.47
Rot. Bonds4

About N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 154863799) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID154863799
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NOCc1cccnc1)C1COc2ccccc2O1
InChIInChI=1S/C15H14N2O4/c18-15(17-20-9-11-4-3-7-16-8-11)14-10-19-12-5-1-2-6-13(12)21-14/h1-8,14H,9-10H2,(H,17,18)
InChIKeyVZCBTCDLSBSJKS-UHFFFAOYSA-N
XLogP1.47
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 102560421
(3S)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1092700
(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
(2R)-N-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32578805
(3S)-N-(2-pyrazin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 29180371
[3-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxymethyl]phenyl]methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2107092
N-[3-(pyridin-3-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2991745
N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4583123
methyl 3-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-7-oxo-9-(pyridin-3-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 42171545
(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95354893
N-[4-(pyridin-4-ylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 133185346
N-[[3-(phenoxymethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55904380

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 154863799) is N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NOCc1cccnc1)C1COc2ccccc2O1.
What is the InChIKey of N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is VZCBTCDLSBSJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-15(17-20-9-11-4-3-7-16-8-11)14-10-19-12-5-1-2-6-13(12)21-14/h1-8,14H,9-10H2,(H,17,18).
What are the key properties of N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 154863799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).