6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide

C16H25N5O2 — CID 109116830

IUPAC6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(N2CCN(C=O)CC2)nn1
InChIInChI=1S/C16H25N5O2/c1-3-7-21(8-4-2)16(23)14-5-6-15(18-17-14)20-11-9-19(13-22)10-12-20/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyPNFTYOAZPZABLJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.02
Rot. Bonds7

About 6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide

6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide (PubChem CID 109116830) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
PubChem CID109116830
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(N2CCN(C=O)CC2)nn1
InChIInChI=1S/C16H25N5O2/c1-3-7-21(8-4-2)16(23)14-5-6-15(18-17-14)20-11-9-19(13-22)10-12-20/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyPNFTYOAZPZABLJ-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.02
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

6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
CID 109123102
N,N-dipropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124196
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide
CID 109123968
6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109116837
N-butyl-N-methyl-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116180
4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
CID 109046369
4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116803
6-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116789
N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116807
4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116981
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

Frequently Asked Questions

What is the IUPAC name of 6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide (CID 109116830) is 6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide is CCCN(CCC)C(=O)c1ccc(N2CCN(C=O)CC2)nn1.
What is the InChIKey of 6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide?
The InChIKey is PNFTYOAZPZABLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-3-7-21(8-4-2)16(23)14-5-6-15(18-17-14)20-11-9-19(13-22)10-12-20/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide?
6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.02, 7 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,N-dipropylpyridazine-3-carboxamide is sourced from PubChem (CID 109116830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).