4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde

C21H25N5O3 — CID 109168896

IUPAC4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccnc(Nc3ccccc3N3CCOCC3)c2)CC1
InChIInChI=1S/C21H25N5O3/c27-16-24-7-9-26(10-8-24)21(28)17-5-6-22-20(15-17)23-18-3-1-2-4-19(18)25-11-13-29-14-12-25/h1-6,15-16H,7-14H2,(H,22,23)
InChIKeyIFKFFRGJZUXZLB-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.58
Rot. Bonds5

About 4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde

4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109168896) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
PubChem CID109168896
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccnc(Nc3ccccc3N3CCOCC3)c2)CC1
InChIInChI=1S/C21H25N5O3/c27-16-24-7-9-26(10-8-24)21(28)17-5-6-22-20(15-17)23-18-3-1-2-4-19(18)25-11-13-29-14-12-25/h1-6,15-16H,7-14H2,(H,22,23)
InChIKeyIFKFFRGJZUXZLB-UHFFFAOYSA-N
XLogP1.58
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.58
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

morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485
4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168877
[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341768
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone
CID 109174472
4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017899
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
[5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274408
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
2-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194788
4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168852
[2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174558
2-(2-methoxyethylamino)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109166957

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde (CID 109168896) is 4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccnc(Nc3ccccc3N3CCOCC3)c2)CC1.
What is the InChIKey of 4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is IFKFFRGJZUXZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c27-16-24-7-9-26(10-8-24)21(28)17-5-6-22-20(15-17)23-18-3-1-2-4-19(18)25-11-13-29-14-12-25/h1-6,15-16H,7-14H2,(H,22,23).
What are the key properties of 4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 395.46 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109168896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).