N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide

C21H19N3O4 — CID 113036240

IUPACN-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C21H19N3O4/c25-21(14-28-17-4-2-1-3-5-17)24-20-9-7-16(13-22-20)23-15-6-8-18-19(12-15)27-11-10-26-18/h1-9,12-13,23H,10-11,14H2,(H,22,24,25)
InChIKeyDMVPSWXSXAUSBF-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.61
Rot. Bonds6

About N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide

N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide (PubChem CID 113036240) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide
PubChem CID113036240
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C21H19N3O4/c25-21(14-28-17-4-2-1-3-5-17)24-20-9-7-16(13-22-20)23-15-6-8-18-19(12-15)27-11-10-26-18/h1-9,12-13,23H,10-11,14H2,(H,22,24,25)
InChIKeyDMVPSWXSXAUSBF-UHFFFAOYSA-N
XLogP3.61
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113036241
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113050313
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113032117
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113036236
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113033006
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide
CID 113036130
methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate
CID 113021680
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-phenoxyacetamide
CID 113016981
N-[5-(2-ethoxyanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113034277
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036157
2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43823034

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide (CID 113036240) is N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(Nc2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide?
The InChIKey is DMVPSWXSXAUSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-21(14-28-17-4-2-1-3-5-17)24-20-9-7-16(13-22-20)23-15-6-8-18-19(12-15)27-11-10-26-18/h1-9,12-13,23H,10-11,14H2,(H,22,24,25).
What are the key properties of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide?
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide has a molecular weight of 377.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide is sourced from PubChem (CID 113036240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).