6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide

C21H27N5O2 — CID 109117118

IUPAC6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)N(Cc3ccccc3)C(C)C)nn2)CC1
InChIInChI=1S/C21H27N5O2/c1-16(2)26(15-18-7-5-4-6-8-18)21(28)19-9-10-20(23-22-19)25-13-11-24(12-14-25)17(3)27/h4-10,16H,11-15H2,1-3H3
InChIKeyHBOAPMPBHNUYPM-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.20
Rot. Bonds5

About 6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 109117118) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID109117118
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)N(Cc3ccccc3)C(C)C)nn2)CC1
InChIInChI=1S/C21H27N5O2/c1-16(2)26(15-18-7-5-4-6-8-18)21(28)19-9-10-20(23-22-19)25-13-11-24(12-14-25)17(3)27/h4-10,16H,11-15H2,1-3H3
InChIKeyHBOAPMPBHNUYPM-UHFFFAOYSA-N
XLogP2.20
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 109254780
6-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109117114
N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125114
N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778492
N-benzyl-2-oxo-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108503615
6-(4-acetylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109117081
6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109125118
N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109124715
N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027787
6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109113907
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide (CID 109117118) is 6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)N(Cc3ccccc3)C(C)C)nn2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is HBOAPMPBHNUYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16(2)26(15-18-7-5-4-6-8-18)21(28)19-9-10-20(23-22-19)25-13-11-24(12-14-25)17(3)27/h4-10,16H,11-15H2,1-3H3.
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109117118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).