N-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide

C19H16N4O3 — CID 11501142

IUPACN-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)OCO4)n2)c1
InChIInChI=1S/C19H16N4O3/c1-12(24)21-14-4-2-3-13(7-14)16-9-20-10-19(23-16)22-15-5-6-17-18(8-15)26-11-25-17/h2-10H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyVCQYSCPNENRBFZ-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.57
Rot. Bonds4

About N-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide

N-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide (PubChem CID 11501142) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide
PubChem CID11501142
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)OCO4)n2)c1
InChIInChI=1S/C19H16N4O3/c1-12(24)21-14-4-2-3-13(7-14)16-9-20-10-19(23-16)22-15-5-6-17-18(8-15)26-11-25-17/h2-10H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyVCQYSCPNENRBFZ-UHFFFAOYSA-N
XLogP3.57
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide (CID 11501142) is N-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)OCO4)n2)c1.
What is the InChIKey of N-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is VCQYSCPNENRBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12(24)21-14-4-2-3-13(7-14)16-9-20-10-19(23-16)22-15-5-6-17-18(8-15)26-11-25-17/h2-10H,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide?
N-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 348.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(1,3-benzodioxol-5-ylamino)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11501142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).