6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide

C15H15N3O4 — CID 162625904

IUPAC6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide
SMILESCOc1cc2c(cc1-c1cncc(C(=O)N(C)C)n1)OCO2
InChIInChI=1S/C15H15N3O4/c1-18(2)15(19)11-7-16-6-10(17-11)9-4-13-14(22-8-21-13)5-12(9)20-3/h4-7H,8H2,1-3H3
InChIKeyQXVGCAHPKBPCBE-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.58
Rot. Bonds3

About 6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide

6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide (PubChem CID 162625904) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide
PubChem CID162625904
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide
SMILESCOc1cc2c(cc1-c1cncc(C(=O)N(C)C)n1)OCO2
InChIInChI=1S/C15H15N3O4/c1-18(2)15(19)11-7-16-6-10(17-11)9-4-13-14(22-8-21-13)5-12(9)20-3/h4-7H,8H2,1-3H3
InChIKeyQXVGCAHPKBPCBE-UHFFFAOYSA-N
XLogP1.58
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 163307237
5-(6-methoxy-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-amine
CID 163306861
3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine
CID 162632386
3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine
CID 163311853
5-(6-methoxy-1,3-benzodioxol-5-yl)-3-methyl-1H-pyridazin-6-one
CID 157011122
5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 162636292
2-(1,3-benzodioxol-5-yloxymethyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide
CID 42460835
16,17-dimethoxy-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-20-carboxylic acid
CID 67471896
2-(6-methoxy-1,3-benzodioxol-5-yl)-7-methylpurine
CID 157013233
methyl 6-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxylate
CID 625404
N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine
CID 162633091
6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine
CID 162632824

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide?
The IUPAC name of 6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide (CID 162625904) is 6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide is COc1cc2c(cc1-c1cncc(C(=O)N(C)C)n1)OCO2.
What is the InChIKey of 6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide?
The InChIKey is QXVGCAHPKBPCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-18(2)15(19)11-7-16-6-10(17-11)9-4-13-14(22-8-21-13)5-12(9)20-3/h4-7H,8H2,1-3H3.
What are the key properties of 6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide?
6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 162625904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).