4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde

C20H24N4O4 — CID 109208752

IUPAC4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCOc1ccc(OCCNc2ccnc(C(=O)N3CCN(C=O)CC3)c2)cc1
InChIInChI=1S/C20H24N4O4/c1-27-17-2-4-18(5-3-17)28-13-8-21-16-6-7-22-19(14-16)20(26)24-11-9-23(15-25)10-12-24/h2-7,14-15H,8-13H2,1H3,(H,21,22)
InChIKeyZRVLJAPNMGFYFX-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.50
Rot. Bonds8

About 4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde

4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109208752) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109208752
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCOc1ccc(OCCNc2ccnc(C(=O)N3CCN(C=O)CC3)c2)cc1
InChIInChI=1S/C20H24N4O4/c1-27-17-2-4-18(5-3-17)28-13-8-21-16-6-7-22-19(14-16)20(26)24-11-9-23(15-25)10-12-24/h2-7,14-15H,8-13H2,1H3,(H,21,22)
InChIKeyZRVLJAPNMGFYFX-UHFFFAOYSA-N
XLogP1.50
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[6-[2-(4-methoxyphenoxy)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109367610
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208083
[4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109202741
4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109084711
4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109201896
[4-(2-methoxyethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109205842
N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109204797
[4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109205899
4-[4-(3-chloro-4-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208797
1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169045
methyl 3-[[2-(4-formylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208822
4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208801

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde (CID 109208752) is 4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde is COc1ccc(OCCNc2ccnc(C(=O)N3CCN(C=O)CC3)c2)cc1.
What is the InChIKey of 4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is ZRVLJAPNMGFYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-27-17-2-4-18(5-3-17)28-13-8-21-16-6-7-22-19(14-16)20(26)24-11-9-23(15-25)10-12-24/h2-7,14-15H,8-13H2,1H3,(H,21,22).
What are the key properties of 4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde?
4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 384.44 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109208752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).