N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide

C22H23N5O2 — CID 113043687

IUPACN-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3)nn2)CC1
InChIInChI=1S/C22H23N5O2/c1-29-19-10-6-5-9-18(19)26-13-15-27(16-14-26)21-12-11-20(24-25-21)23-22(28)17-7-3-2-4-8-17/h2-12H,13-16H2,1H3,(H,23,24,28)
InChIKeyLNLMCMXLVYEEDC-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.06
Rot. Bonds5

About N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide

N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide (PubChem CID 113043687) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide
PubChem CID113043687
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3)nn2)CC1
InChIInChI=1S/C22H23N5O2/c1-29-19-10-6-5-9-18(19)26-13-15-27(16-14-26)21-12-11-20(24-25-21)23-22(28)17-7-3-2-4-8-17/h2-12H,13-16H2,1H3,(H,23,24,28)
InChIKeyLNLMCMXLVYEEDC-UHFFFAOYSA-N
XLogP3.06
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea
CID 113043694
ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043584
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111214
5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 46362988
5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 146060597
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043749
[4-(2-methoxyphenyl)piperazin-1-yl]-(6-piperidin-1-ylpyridazin-3-yl)methanone
CID 109112503
3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043115
4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043874
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide
CID 109123968
5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5138387
N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109106

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide?
The IUPAC name of N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide (CID 113043687) is N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide?
The canonical SMILES for N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide is COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3)nn2)CC1.
What is the InChIKey of N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide?
The InChIKey is LNLMCMXLVYEEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-19-10-6-5-9-18(19)26-13-15-27(16-14-26)21-12-11-20(24-25-21)23-22(28)17-7-3-2-4-8-17/h2-12H,13-16H2,1H3,(H,23,24,28).
What are the key properties of N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide?
N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113043687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).