N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide

C23H29Cl2N5O2 — CID 46148170

IUPACN-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide
SMILESCCN(CC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)C(=O)CC(C)C
InChIInChI=1S/C23H29Cl2N5O2/c1-4-28(22(31)13-16(2)3)15-23(32)30-11-9-29(10-12-30)21-8-7-20(26-27-21)18-6-5-17(24)14-19(18)25/h5-8,14,16H,4,9-13,15H2,1-3H3
InChIKeyCFUUCIXFCCIEAA-UHFFFAOYSA-N
MW478.42 g/mol
LogP3.99
Rot. Bonds7

About N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide

N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide (PubChem CID 46148170) has the molecular formula C23H29Cl2N5O2 and a molecular weight of 478.42 g/mol. Its IUPAC name is N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide
PubChem CID46148170
Molecular FormulaC23H29Cl2N5O2
Molecular Weight478.42 g/mol
Exact Mass477.17
IUPAC NameN-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide
SMILESCCN(CC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)C(=O)CC(C)C
InChIInChI=1S/C23H29Cl2N5O2/c1-4-28(22(31)13-16(2)3)15-23(32)30-11-9-29(10-12-30)21-8-7-20(26-27-21)18-6-5-17(24)14-19(18)25/h5-8,14,16H,4,9-13,15H2,1-3H3
InChIKeyCFUUCIXFCCIEAA-UHFFFAOYSA-N
XLogP3.99
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 98272724
1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea
CID 46148287
N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(1R)-1-phenylethyl]benzamide
CID 98439596
N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 42832704
N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide
CID 46148158
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-ethylbenzamide
CID 46002028
N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 98439604
3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide
CID 93160222
N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 98439573
N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 46147796
N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46001938
N-butan-2-yl-2,4-dichloro-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 83273253

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide?
The IUPAC name of N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide (CID 46148170) is N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide.
What is the SMILES notation for N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide?
The canonical SMILES for N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide is CCN(CC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)C(=O)CC(C)C.
What is the InChIKey of N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide?
The InChIKey is CFUUCIXFCCIEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N5O2/c1-4-28(22(31)13-16(2)3)15-23(32)30-11-9-29(10-12-30)21-8-7-20(26-27-21)18-6-5-17(24)14-19(18)25/h5-8,14,16H,4,9-13,15H2,1-3H3.
What are the key properties of N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide?
N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide has a molecular weight of 478.42 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 46148170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).