N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide

C20H17N3O5 — CID 53118441

IUPACN-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESCCOc1ccc(-n2ccnc(NC(=O)c3ccc4c(c3)OCO4)c2=O)cc1
InChIInChI=1S/C20H17N3O5/c1-2-26-15-6-4-14(5-7-15)23-10-9-21-18(20(23)25)22-19(24)13-3-8-16-17(11-13)28-12-27-16/h3-11H,2,12H2,1H3,(H,21,22,24)
InChIKeyKLNIPIUXEPJIKJ-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.61
Rot. Bonds5

About N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide

N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 53118441) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID53118441
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC NameN-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESCCOc1ccc(-n2ccnc(NC(=O)c3ccc4c(c3)OCO4)c2=O)cc1
InChIInChI=1S/C20H17N3O5/c1-2-26-15-6-4-14(5-7-15)23-10-9-21-18(20(23)25)22-19(24)13-3-8-16-17(11-13)28-12-27-16/h3-11H,2,12H2,1H3,(H,21,22,24)
InChIKeyKLNIPIUXEPJIKJ-UHFFFAOYSA-N
XLogP2.61
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide
CID 53118442
4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118437
1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118262
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 3886890
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 7255304
3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one
CID 46337486
1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone
CID 43338385
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 93125671
1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
CID 53118323
1,3-benzodioxol-5-yl-[4-(4-ethoxyphenyl)piperazin-1-yl]methanone
CID 113077448
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557321
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-ethoxybenzamide
CID 3420877

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide (CID 53118441) is N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide is CCOc1ccc(-n2ccnc(NC(=O)c3ccc4c(c3)OCO4)c2=O)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is KLNIPIUXEPJIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-2-26-15-6-4-14(5-7-15)23-10-9-21-18(20(23)25)22-19(24)13-3-8-16-17(11-13)28-12-27-16/h3-11H,2,12H2,1H3,(H,21,22,24).
What are the key properties of N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide?
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 53118441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).