N-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide

C24H33N5O3 — CID 46147750

IUPACN-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)COC
InChIInChI=1S/C24H33N5O3/c1-4-5-12-29(24(31)18-32-3)17-23(30)28-15-13-27(14-16-28)22-11-10-21(25-26-22)20-8-6-19(2)7-9-20/h6-11H,4-5,12-18H2,1-3H3
InChIKeyMLHOFUSCDWQEBC-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.38
Rot. Bonds9

About N-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide

N-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 46147750) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID46147750
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)COC
InChIInChI=1S/C24H33N5O3/c1-4-5-12-29(24(31)18-32-3)17-23(30)28-15-13-27(14-16-28)22-11-10-21(25-26-22)20-8-6-19(2)7-9-20/h6-11H,4-5,12-18H2,1-3H3
InChIKeyMLHOFUSCDWQEBC-UHFFFAOYSA-N
XLogP2.38
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide
CID 42832377
2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide
CID 46006223
N-(furan-2-ylmethyl)-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 46147654
N-butyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 42833302
4-fluoro-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylbenzamide
CID 46147705
2-methoxy-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(2-methylpropyl)acetamide
CID 42832718
N-butyl-3-methoxy-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 46003619
N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide
CID 42836560
2-fluoro-N-(2-methoxyethyl)-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 42832319
N-butyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]acetamide
CID 42832812
N-butyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 46001650
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylacetamide
CID 46000671

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide (CID 46147750) is N-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide is CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)COC.
What is the InChIKey of N-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is MLHOFUSCDWQEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-4-5-12-29(24(31)18-32-3)17-23(30)28-15-13-27(14-16-28)22-11-10-21(25-26-22)20-8-6-19(2)7-9-20/h6-11H,4-5,12-18H2,1-3H3.
What are the key properties of N-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide?
N-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 439.56 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 46147750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).