6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide

C18H21N5O2 — CID 109116779

IUPAC6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(N2CCN(C=O)CC2)nn1)c1ccccc1
InChIInChI=1S/C18H21N5O2/c1-14(15-5-3-2-4-6-15)19-18(25)16-7-8-17(21-20-16)23-11-9-22(13-24)10-12-23/h2-8,13-14H,9-12H2,1H3,(H,19,25)
InChIKeyMBLPLDXFUAUPHG-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.25
Rot. Bonds5

About 6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide

6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide (PubChem CID 109116779) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
PubChem CID109116779
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(N2CCN(C=O)CC2)nn1)c1ccccc1
InChIInChI=1S/C18H21N5O2/c1-14(15-5-3-2-4-6-15)19-18(25)16-7-8-17(21-20-16)23-11-9-22(13-24)10-12-23/h2-8,13-14H,9-12H2,1H3,(H,19,25)
InChIKeyMBLPLDXFUAUPHG-UHFFFAOYSA-N
XLogP1.25
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.25
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

6-(4-acetylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109117081
6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109367441
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118828
6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109116837
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116865
N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116912
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
6-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116789
5-(4-acetylpiperazin-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109279167
(2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
CID 119368696
5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280802
6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide
CID 124749178

Frequently Asked Questions

What is the IUPAC name of 6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide (CID 109116779) is 6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide is CC(NC(=O)c1ccc(N2CCN(C=O)CC2)nn1)c1ccccc1.
What is the InChIKey of 6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is MBLPLDXFUAUPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-14(15-5-3-2-4-6-15)19-18(25)16-7-8-17(21-20-16)23-11-9-22(13-24)10-12-23/h2-8,13-14H,9-12H2,1H3,(H,19,25).
What are the key properties of 6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide?
6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109116779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).