4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde

C18H21N5O2 — CID 109278797

IUPAC4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCc1cccc(Nc2cnc(C(=O)N3CCN(C=O)CC3)cn2)c1C
InChIInChI=1S/C18H21N5O2/c1-13-4-3-5-15(14(13)2)21-17-11-19-16(10-20-17)18(25)23-8-6-22(12-24)7-9-23/h3-5,10-12H,6-9H2,1-2H3,(H,20,21)
InChIKeyDJQDFGKLRFJBDH-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.75
Rot. Bonds4

About 4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde

4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109278797) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109278797
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCc1cccc(Nc2cnc(C(=O)N3CCN(C=O)CC3)cn2)c1C
InChIInChI=1S/C18H21N5O2/c1-13-4-3-5-15(14(13)2)21-17-11-19-16(10-20-17)18(25)23-8-6-22(12-24)7-9-23/h3-5,10-12H,6-9H2,1-2H3,(H,20,21)
InChIKeyDJQDFGKLRFJBDH-UHFFFAOYSA-N
XLogP1.75
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285519
4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278823
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080
4-[2-(2,3-dimethylanilino)pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254373
4-[5-(2,6-difluoroanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278873
4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109326479
4-[5-(3,5-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278795
4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278838
4-[6-(3-chloro-2-methylanilino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109367651
[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084687
4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109272937

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde (CID 109278797) is 4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde is Cc1cccc(Nc2cnc(C(=O)N3CCN(C=O)CC3)cn2)c1C.
What is the InChIKey of 4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is DJQDFGKLRFJBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-4-3-5-15(14(13)2)21-17-11-19-16(10-20-17)18(25)23-8-6-22(12-24)7-9-23/h3-5,10-12H,6-9H2,1-2H3,(H,20,21).
What are the key properties of 4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 339.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109278797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).