5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide

C20H17N5O4 — CID 109294153

IUPAC5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cnc(C(=O)Nc3ccc4c(c3)OCO4)cn2)cc1
InChIInChI=1S/C20H17N5O4/c1-12(26)23-13-2-4-14(5-3-13)24-19-10-21-16(9-22-19)20(27)25-15-6-7-17-18(8-15)29-11-28-17/h2-10H,11H2,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyCZLBCCJEUMRQLM-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.16
Rot. Bonds5

About 5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide

5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide (PubChem CID 109294153) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
PubChem CID109294153
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cnc(C(=O)Nc3ccc4c(c3)OCO4)cn2)cc1
InChIInChI=1S/C20H17N5O4/c1-12(26)23-13-2-4-14(5-3-13)24-19-10-21-16(9-22-19)20(27)25-15-6-7-17-18(8-15)29-11-28-17/h2-10H,11H2,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyCZLBCCJEUMRQLM-UHFFFAOYSA-N
XLogP3.16
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide
CID 109292906
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
N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide
CID 109294080
N-(1,3-benzodioxol-5-yl)-5-[2-(dimethylamino)ethylamino]pyrazine-2-carboxamide
CID 109277429
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
5-(1,3-benzodioxol-5-ylamino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293894
5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277249
1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279141
6-(4-acetylanilino)-N-(1,3-benzodioxol-5-yl)pyrimidine-4-carboxamide
CID 109359392
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide (CID 109294153) is 5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide is CC(=O)Nc1ccc(Nc2cnc(C(=O)Nc3ccc4c(c3)OCO4)cn2)cc1.
What is the InChIKey of 5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide?
The InChIKey is CZLBCCJEUMRQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-12(26)23-13-2-4-14(5-3-13)24-19-10-21-16(9-22-19)20(27)25-15-6-7-17-18(8-15)29-11-28-17/h2-10H,11H2,1H3,(H,22,24)(H,23,26)(H,25,27).
What are the key properties of 5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide?
5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109294153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).