5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide

C20H18N4O3 — CID 109280867

IUPAC5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(Nc2ccc3c(c2)OCO3)cn1)c1ccccc1
InChIInChI=1S/C20H18N4O3/c1-13(14-5-3-2-4-6-14)23-20(25)16-10-22-19(11-21-16)24-15-7-8-17-18(9-15)27-12-26-17/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyDNCCVVOESXYLNH-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.44
Rot. Bonds5

About 5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide

5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide (PubChem CID 109280867) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide
PubChem CID109280867
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(Nc2ccc3c(c2)OCO3)cn1)c1ccccc1
InChIInChI=1S/C20H18N4O3/c1-13(14-5-3-2-4-6-14)23-20(25)16-10-22-19(11-21-16)24-15-7-8-17-18(9-15)27-12-26-17/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyDNCCVVOESXYLNH-UHFFFAOYSA-N
XLogP3.44
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280827
5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280854
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
5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277249
5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291390
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293849
N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide
CID 109292906
5-(2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280804
N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109280820
1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279141
5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280871

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide (CID 109280867) is 5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide is CC(NC(=O)c1cnc(Nc2ccc3c(c2)OCO3)cn1)c1ccccc1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is DNCCVVOESXYLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13(14-5-3-2-4-6-14)23-20(25)16-10-22-19(11-21-16)24-15-7-8-17-18(9-15)27-12-26-17/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109280867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).