2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide

C20H18N4O4 — CID 122246687

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide
SMILESCC(Oc1ccc2c(c1)OCO2)C(=O)NCc1nccnc1-c1cccnc1
InChIInChI=1S/C20H18N4O4/c1-13(28-15-4-5-17-18(9-15)27-12-26-17)20(25)24-11-16-19(23-8-7-22-16)14-3-2-6-21-10-14/h2-10,13H,11-12H2,1H3,(H,24,25)
InChIKeyOHTVTLFMJQYPJE-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.35
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide

2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide (PubChem CID 122246687) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide
PubChem CID122246687
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide
SMILESCC(Oc1ccc2c(c1)OCO2)C(=O)NCc1nccnc1-c1cccnc1
InChIInChI=1S/C20H18N4O4/c1-13(28-15-4-5-17-18(9-15)27-12-26-17)20(25)24-11-16-19(23-8-7-22-16)14-3-2-6-21-10-14/h2-10,13H,11-12H2,1H3,(H,24,25)
InChIKeyOHTVTLFMJQYPJE-UHFFFAOYSA-N
XLogP2.35
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide
CID 122246686
(2S)-2-(1,3-benzodioxol-5-yloxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2126779
2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide
CID 135102133
2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide
CID 91818501
3-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 45396767
2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 43971649
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)propanamide
CID 4615514
5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 118791795
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propanoylphenoxy)propanamide
CID 8604764
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 17490684
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 7858145

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide (CID 122246687) is 2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide is CC(Oc1ccc2c(c1)OCO2)C(=O)NCc1nccnc1-c1cccnc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide?
The InChIKey is OHTVTLFMJQYPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-13(28-15-4-5-17-18(9-15)27-12-26-17)20(25)24-11-16-19(23-8-7-22-16)14-3-2-6-21-10-14/h2-10,13H,11-12H2,1H3,(H,24,25).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide?
2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide has a molecular weight of 378.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide is sourced from PubChem (CID 122246687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).