6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide

C21H21N5O2 — CID 133313205

IUPAC6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCN(c3ccc(O)cc3)CC2)nn1
InChIInChI=1S/C21H21N5O2/c27-18-8-6-17(7-9-18)25-12-14-26(15-13-25)20-11-10-19(23-24-20)21(28)22-16-4-2-1-3-5-16/h1-11,27H,12-15H2,(H,22,28)
InChIKeyDFXAKNBSQFEKDS-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.76
Rot. Bonds4

About 6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide

6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide (PubChem CID 133313205) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
PubChem CID133313205
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCN(c3ccc(O)cc3)CC2)nn1
InChIInChI=1S/C21H21N5O2/c27-18-8-6-17(7-9-18)25-12-14-26(15-13-25)20-11-10-19(23-24-20)21(28)22-16-4-2-1-3-5-16/h1-11,27H,12-15H2,(H,22,28)
InChIKeyDFXAKNBSQFEKDS-UHFFFAOYSA-N
XLogP2.76
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313221
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123134
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109123192
N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133313399
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133499682
N-phenyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 109124061
6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
CID 109126707
N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133313428
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide (CID 133313205) is 6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(N2CCN(c3ccc(O)cc3)CC2)nn1.
What is the InChIKey of 6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide?
The InChIKey is DFXAKNBSQFEKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-18-8-6-17(7-9-18)25-12-14-26(15-13-25)20-11-10-19(23-24-20)21(28)22-16-4-2-1-3-5-16/h1-11,27H,12-15H2,(H,22,28).
What are the key properties of 6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide?
6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).