N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide

C17H18N4O4 — CID 91626716

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C17H18N4O4/c22-17(20-8-12-1-2-14-15(7-12)24-11-23-14)21-6-3-13(10-21)25-16-9-18-4-5-19-16/h1-2,4-5,7,9,13H,3,6,8,10-11H2,(H,20,22)
InChIKeyAFCRANNXWZCYBP-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.57
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide (PubChem CID 91626716) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide
PubChem CID91626716
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C17H18N4O4/c22-17(20-8-12-1-2-14-15(7-12)24-11-23-14)21-6-3-13(10-21)25-16-9-18-4-5-19-16/h1-2,4-5,7,9,13H,3,6,8,10-11H2,(H,20,22)
InChIKeyAFCRANNXWZCYBP-UHFFFAOYSA-N
XLogP1.57
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypiperidine-1-carboxamide
CID 91627929
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrimidin-4-yloxypyrrolidine-1-carboxamide
CID 122160901
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261615
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 71799214
N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165135
N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 51083402
3-pyrazin-2-yloxy-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 91627924
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea
CID 38276842
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 90636279
N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84529504

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide (CID 91626716) is N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide is O=C(NCc1ccc2c(c1)OCO2)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide?
The InChIKey is AFCRANNXWZCYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-17(20-8-12-1-2-14-15(7-12)24-11-23-14)21-6-3-13(10-21)25-16-9-18-4-5-19-16/h1-2,4-5,7,9,13H,3,6,8,10-11H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 91626716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).