N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide

C23H26ClN5O2 — CID 46001868

IUPACN-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
SMILESO=C(CN(C(=O)C1CC1)C1CC1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1
InChIInChI=1S/C23H26ClN5O2/c24-19-4-2-1-3-18(19)20-9-10-21(26-25-20)27-11-13-28(14-12-27)22(30)15-29(17-7-8-17)23(31)16-5-6-16/h1-4,9-10,16-17H,5-8,11-15H2
InChIKeyUDLNWUDYJWEZIM-UHFFFAOYSA-N
MW439.95 g/mol
LogP2.85
Rot. Bonds6

About N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide

N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide (PubChem CID 46001868) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
PubChem CID46001868
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC NameN-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
SMILESO=C(CN(C(=O)C1CC1)C1CC1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1
InChIInChI=1S/C23H26ClN5O2/c24-19-4-2-1-3-18(19)20-9-10-21(26-25-20)27-11-13-28(14-12-27)22(30)15-29(17-7-8-17)23(31)16-5-6-16/h1-4,9-10,16-17H,5-8,11-15H2
InChIKeyUDLNWUDYJWEZIM-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46001938
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-cyclopropyl-2-methylbenzamide
CID 46002056
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(cyclopropylmethyl)cyclobutanecarboxamide
CID 46002095
N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 42832704
N-cyclopropyl-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclobutanecarboxamide
CID 46001801
1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid
CID 56770692
1-butan-2-yl-1-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-ethylurea
CID 46002129
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide
CID 46001855
N-cyclopropyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46000776
2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide
CID 136568304
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-ethylbenzamide
CID 46002028
N-[(2R)-butan-2-yl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 93155052

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide?
The IUPAC name of N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide (CID 46001868) is N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide is O=C(CN(C(=O)C1CC1)C1CC1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1.
What is the InChIKey of N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide?
The InChIKey is UDLNWUDYJWEZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c24-19-4-2-1-3-18(19)20-9-10-21(26-25-20)27-11-13-28(14-12-27)22(30)15-29(17-7-8-17)23(31)16-5-6-16/h1-4,9-10,16-17H,5-8,11-15H2.
What are the key properties of N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide?
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide has a molecular weight of 439.95 g/mol, XLogP of 2.85, 6 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-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide is sourced from PubChem (CID 46001868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).