4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde

C21H26N4O2 — CID 109208785

IUPAC4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCCc1cccc(CC)c1Nc1ccnc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-3-16-6-5-7-17(4-2)20(16)23-18-8-9-22-19(14-18)21(27)25-12-10-24(15-26)11-13-25/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,22,23)
InChIKeyABURZAOMLVPKPS-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.86
Rot. Bonds6

About 4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde

4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109208785) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109208785
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCCc1cccc(CC)c1Nc1ccnc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-3-16-6-5-7-17(4-2)20(16)23-18-8-9-22-19(14-18)21(27)25-12-10-24(15-26)11-13-25/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,22,23)
InChIKeyABURZAOMLVPKPS-UHFFFAOYSA-N
XLogP2.86
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[2-(4-formylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208822
ethyl 4-[[2-(4-formylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208836
4-[4-(3-chloro-4-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208797
4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208824
4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109201896
[4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208531
1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209061
4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208801
4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208886
4-[2-(4-ethylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302900
N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096948
4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208752

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde (CID 109208785) is 4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde is CCc1cccc(CC)c1Nc1ccnc(C(=O)N2CCN(C=O)CC2)c1.
What is the InChIKey of 4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is ABURZAOMLVPKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-16-6-5-7-17(4-2)20(16)23-18-8-9-22-19(14-18)21(27)25-12-10-24(15-26)11-13-25/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,22,23).
What are the key properties of 4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 366.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109208785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).