5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide

C16H19N5O3 — CID 109277249

IUPAC5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C16H19N5O3/c1-21(2)6-5-17-16(22)12-8-19-15(9-18-12)20-11-3-4-13-14(7-11)24-10-23-13/h3-4,7-9H,5-6,10H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyWOFGZDONDATHHU-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.24
Rot. Bonds6

About 5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide

5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide (PubChem CID 109277249) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
PubChem CID109277249
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C16H19N5O3/c1-21(2)6-5-17-16(22)12-8-19-15(9-18-12)20-11-3-4-13-14(7-11)24-10-23-13/h3-4,7-9H,5-6,10H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyWOFGZDONDATHHU-UHFFFAOYSA-N
XLogP1.24
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277250
N-(1,3-benzodioxol-5-yl)-5-[2-(dimethylamino)ethylamino]pyrazine-2-carboxamide
CID 109277429
N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109277174
5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277199
5-anilino-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277171
5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284768
6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109116094
5-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277751
N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109277809
N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide
CID 109294079
5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
CID 109294153
N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide
CID 109292906

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide (CID 109277249) is 5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide is CN(C)CCNC(=O)c1cnc(Nc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The InChIKey is WOFGZDONDATHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-21(2)6-5-17-16(22)12-8-19-15(9-18-12)20-11-3-4-13-14(7-11)24-10-23-13/h3-4,7-9H,5-6,10H2,1-2H3,(H,17,22)(H,19,20).
What are the key properties of 5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109277249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).