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

C21H29N5O — CID 109123102

IUPAC6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C21H29N5O/c1-3-12-26(13-4-2)21(27)19-10-11-20(23-22-19)25-16-14-24(15-17-25)18-8-6-5-7-9-18/h5-11H,3-4,12-17H2,1-2H3
InChIKeyWSPSEEQNLDQVOI-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.07
Rot. Bonds7

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

6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide (PubChem CID 109123102) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
PubChem CID109123102
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C21H29N5O/c1-3-12-26(13-4-2)21(27)19-10-11-20(23-22-19)25-16-14-24(15-17-25)18-8-6-5-7-9-18/h5-11H,3-4,12-17H2,1-2H3
InChIKeyWSPSEEQNLDQVOI-UHFFFAOYSA-N
XLogP3.07
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
CID 109116830
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
N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123098
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109116154
N-butyl-N-methyl-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116180
N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027787
N-benzyl-6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 121028194
N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111797
4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116803
6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109116837
5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide
CID 109187393

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide (CID 109123102) is 6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide is CCCN(CCC)C(=O)c1ccc(N2CCN(c3ccccc3)CC2)nn1.
What is the InChIKey of 6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide?
The InChIKey is WSPSEEQNLDQVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-3-12-26(13-4-2)21(27)19-10-11-20(23-22-19)25-16-14-24(15-17-25)18-8-6-5-7-9-18/h5-11H,3-4,12-17H2,1-2H3.
What are the key properties of 6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide?
6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide is sourced from PubChem (CID 109123102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).