N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide

C21H18N4O4 — CID 109294080

IUPACN-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(Nc3ccc4c(c3)OCCO4)cn2)cc1
InChIInChI=1S/C21H18N4O4/c1-13(26)14-2-4-15(5-3-14)25-21(27)17-11-23-20(12-22-17)24-16-6-7-18-19(10-16)29-9-8-28-18/h2-7,10-12H,8-9H2,1H3,(H,23,24)(H,25,27)
InChIKeyKVZHEBPFRKXOTR-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.45
Rot. Bonds5

About N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide

N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide (PubChem CID 109294080) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide
PubChem CID109294080
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC NameN-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(Nc3ccc4c(c3)OCCO4)cn2)cc1
InChIInChI=1S/C21H18N4O4/c1-13(26)14-2-4-15(5-3-14)25-21(27)17-11-23-20(12-22-17)24-16-6-7-18-19(10-16)29-9-8-28-18/h2-7,10-12H,8-9H2,1H3,(H,23,24)(H,25,27)
InChIKeyKVZHEBPFRKXOTR-UHFFFAOYSA-N
XLogP3.45
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide
CID 109294079
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109294263
5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
CID 109294153
N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
CID 109164518
1-[4-[[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866685
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-(4-chloroanilino)pyrazine-2-carboxamide
CID 109292906
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291991
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]-4-methylbenzamide
CID 113021649
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294086

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide (CID 109294080) is N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cnc(Nc3ccc4c(c3)OCCO4)cn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide?
The InChIKey is KVZHEBPFRKXOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-13(26)14-2-4-15(5-3-14)25-21(27)17-11-23-20(12-22-17)24-16-6-7-18-19(10-16)29-9-8-28-18/h2-7,10-12H,8-9H2,1H3,(H,23,24)(H,25,27).
What are the key properties of N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide?
N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109294080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).