6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide

C21H27N5O — CID 109109268

IUPAC6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCN(C/C=C/c3ccccc3)CC2)nn1
InChIInChI=1S/C21H27N5O/c1-2-12-22-21(27)19-10-11-20(24-23-19)26-16-14-25(15-17-26)13-6-9-18-7-4-3-5-8-18/h3-11H,2,12-17H2,1H3,(H,22,27)/b9-6+
InChIKeyJISKIXNBMDOMHZ-RMKNXTFCSA-N
MW365.48 g/mol
LogP2.45
Rot. Bonds7

About 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide

6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide (PubChem CID 109109268) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
PubChem CID109109268
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCN(C/C=C/c3ccccc3)CC2)nn1
InChIInChI=1S/C21H27N5O/c1-2-12-22-21(27)19-10-11-20(24-23-19)26-16-14-25(15-17-26)13-6-9-18-7-4-3-5-8-18/h3-11H,2,12-17H2,1H3,(H,22,27)/b9-6+
InChIKeyJISKIXNBMDOMHZ-RMKNXTFCSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 109113954
N-phenyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 109124061
N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109109270
N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123098
N-pentyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310482
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109265
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 56702748
N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide
CID 109207136
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 171148555
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 146079974
6-[4-[[4-(3-hydroxyphenyl)-2-methoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 169273156
1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970257

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide (CID 109109268) is 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1ccc(N2CCN(C/C=C/c3ccccc3)CC2)nn1.
What is the InChIKey of 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
The InChIKey is JISKIXNBMDOMHZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H27N5O/c1-2-12-22-21(27)19-10-11-20(24-23-19)26-16-14-25(15-17-26)13-6-9-18-7-4-3-5-8-18/h3-11H,2,12-17H2,1H3,(H,22,27)/b9-6+.
What are the key properties of 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 109109268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).