3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile

C15H14N4O2 — CID 124872549

IUPAC3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile
SMILESCN(C[C@@H]1COc2ccccc2O1)c1nccnc1C#N
InChIInChI=1S/C15H14N4O2/c1-19(15-12(8-16)17-6-7-18-15)9-11-10-20-13-4-2-3-5-14(13)21-11/h2-7,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyGSCSFFBDHJKNHQ-LLVKDONJSA-N
MW282.30 g/mol
LogP1.62
Rot. Bonds3

About 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile

3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile (PubChem CID 124872549) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile
PubChem CID124872549
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile
SMILESCN(C[C@@H]1COc2ccccc2O1)c1nccnc1C#N
InChIInChI=1S/C15H14N4O2/c1-19(15-12(8-16)17-6-7-18-15)9-11-10-20-13-4-2-3-5-14(13)21-11/h2-7,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyGSCSFFBDHJKNHQ-LLVKDONJSA-N
XLogP1.62
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine
CID 154851439
2-(5-bromo-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpyrimidin-4-amine
CID 154851429
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 45252895
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
CID 142524925
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine
CID 94026753
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine
CID 43607109
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 94017188
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpyrazine-2-carboxamide
CID 42942619
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine
CID 126771566
5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 72927693
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-nitroquinolin-8-amine
CID 55532599
2-[4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]methyl]phenyl]benzonitrile
CID 16618114

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile (CID 124872549) is 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile is CN(C[C@@H]1COc2ccccc2O1)c1nccnc1C#N.
What is the InChIKey of 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile?
The InChIKey is GSCSFFBDHJKNHQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-19(15-12(8-16)17-6-7-18-15)9-11-10-20-13-4-2-3-5-14(13)21-11/h2-7,11H,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile?
3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 124872549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).