6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide

C17H19N5O2 — CID 109116837

IUPAC6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N2CCN(C=O)CC2)nn1)c1ccccc1
InChIInChI=1S/C17H19N5O2/c1-20(14-5-3-2-4-6-14)17(24)15-7-8-16(19-18-15)22-11-9-21(13-23)10-12-22/h2-8,13H,9-12H2,1H3
InChIKeyHENJGZJSPWKCBN-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.03
Rot. Bonds4

About 6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide

6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide (PubChem CID 109116837) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide
PubChem CID109116837
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N2CCN(C=O)CC2)nn1)c1ccccc1
InChIInChI=1S/C17H19N5O2/c1-20(14-5-3-2-4-6-14)17(24)15-7-8-16(19-18-15)22-11-9-21(13-23)10-12-22/h2-8,13H,9-12H2,1H3
InChIKeyHENJGZJSPWKCBN-UHFFFAOYSA-N
XLogP1.03
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111797
6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
CID 109116830
4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116803
6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109116779
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116967
N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778492
6-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116789
6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
CID 109123102
N-methyl-N-phenyl-6-propan-2-ylpyridazine-3-carboxamide
CID 113200408
4-[6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116815
N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116912
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116865

Frequently Asked Questions

What is the IUPAC name of 6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide (CID 109116837) is 6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide is CN(C(=O)c1ccc(N2CCN(C=O)CC2)nn1)c1ccccc1.
What is the InChIKey of 6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide?
The InChIKey is HENJGZJSPWKCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-20(14-5-3-2-4-6-14)17(24)15-7-8-16(19-18-15)22-11-9-21(13-23)10-12-22/h2-8,13H,9-12H2,1H3.
What are the key properties of 6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide?
6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109116837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).