4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde

C18H19N5O3 — CID 109278838

IUPAC4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCC(=O)c1ccc(Nc2cnc(C(=O)N3CCN(C=O)CC3)cn2)cc1
InChIInChI=1S/C18H19N5O3/c1-13(25)14-2-4-15(5-3-14)21-17-11-19-16(10-20-17)18(26)23-8-6-22(12-24)7-9-23/h2-5,10-12H,6-9H2,1H3,(H,20,21)
InChIKeyILTNQXQQGULGQO-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.34
Rot. Bonds5

About 4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde

4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109278838) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109278838
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCC(=O)c1ccc(Nc2cnc(C(=O)N3CCN(C=O)CC3)cn2)cc1
InChIInChI=1S/C18H19N5O3/c1-13(25)14-2-4-15(5-3-14)21-17-11-19-16(10-20-17)18(26)23-8-6-22(12-24)7-9-23/h2-5,10-12H,6-9H2,1H3,(H,20,21)
InChIKeyILTNQXQQGULGQO-UHFFFAOYSA-N
XLogP1.34
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[5-(3,5-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278795
4-[5-(3-chloro-4-fluoroanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278818
4-[5-(2,6-difluoroanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278873
4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278823
4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278797
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109272937
N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084830
(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109278481
N-[4-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]acetamide
CID 109276515
1-[4-[5-(3,4-difluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279160
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)pyrazin-2-yl]methanone
CID 109278506

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde (CID 109278838) is 4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde is CC(=O)c1ccc(Nc2cnc(C(=O)N3CCN(C=O)CC3)cn2)cc1.
What is the InChIKey of 4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is ILTNQXQQGULGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-13(25)14-2-4-15(5-3-14)21-17-11-19-16(10-20-17)18(26)23-8-6-22(12-24)7-9-23/h2-5,10-12H,6-9H2,1H3,(H,20,21).
What are the key properties of 4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 353.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109278838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).