6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide

C20H27N5O2 — CID 133486503

IUPAC6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESCC1CN(CC(C)(C)O)CCN1c1ccc(C(=O)Nc2ccccc2)nn1
InChIInChI=1S/C20H27N5O2/c1-15-13-24(14-20(2,3)27)11-12-25(15)18-10-9-17(22-23-18)19(26)21-16-7-5-4-6-8-16/h4-10,15,27H,11-14H2,1-3H3,(H,21,26)
InChIKeyXJLPFQXNLTVRRG-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.01
Rot. Bonds5

About 6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide

6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide (PubChem CID 133486503) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide
PubChem CID133486503
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESCC1CN(CC(C)(C)O)CCN1c1ccc(C(=O)Nc2ccccc2)nn1
InChIInChI=1S/C20H27N5O2/c1-15-13-24(14-20(2,3)27)11-12-25(15)18-10-9-17(22-23-18)19(26)21-16-7-5-4-6-8-16/h4-10,15,27H,11-14H2,1-3H3,(H,21,26)
InChIKeyXJLPFQXNLTVRRG-UHFFFAOYSA-N
XLogP2.01
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133499682
6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133497494
(3S,4S)-1-[6-(phenylcarbamoyl)pyridazin-3-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063887
N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133313399
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 136540496
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
N-(4-chlorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109128795
N-phenyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 109124061
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116557
N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133313428

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide (CID 133486503) is 6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide is CC1CN(CC(C)(C)O)CCN1c1ccc(C(=O)Nc2ccccc2)nn1.
What is the InChIKey of 6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide?
The InChIKey is XJLPFQXNLTVRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-13-24(14-20(2,3)27)11-12-25(15)18-10-9-17(22-23-18)19(26)21-16-7-5-4-6-8-16/h4-10,15,27H,11-14H2,1-3H3,(H,21,26).
What are the key properties of 6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide?
6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133486503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).