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

C24H30ClN5O2 — CID 46001938

IUPACN-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
SMILESCCCCN(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)C1CC1
InChIInChI=1S/C24H30ClN5O2/c1-2-3-12-30(24(32)18-8-9-18)17-23(31)29-15-13-28(14-16-29)22-11-10-21(26-27-22)19-6-4-5-7-20(19)25/h4-7,10-11,18H,2-3,8-9,12-17H2,1H3
InChIKeyOPCJIQYKFQAIRP-UHFFFAOYSA-N
MW455.99 g/mol
LogP3.48
Rot. Bonds8

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

N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 46001938) has the molecular formula C24H30ClN5O2 and a molecular weight of 455.99 g/mol. Its IUPAC name is N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID46001938
Molecular FormulaC24H30ClN5O2
Molecular Weight455.99 g/mol
Exact Mass455.21
IUPAC NameN-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
SMILESCCCCN(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)C1CC1
InChIInChI=1S/C24H30ClN5O2/c1-2-3-12-30(24(32)18-8-9-18)17-23(31)29-15-13-28(14-16-29)22-11-10-21(26-27-22)19-6-4-5-7-20(19)25/h4-7,10-11,18H,2-3,8-9,12-17H2,1H3
InChIKeyOPCJIQYKFQAIRP-UHFFFAOYSA-N
XLogP3.48
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide (CID 46001938) is N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide is CCCCN(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)C1CC1.
What is the InChIKey of N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is OPCJIQYKFQAIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O2/c1-2-3-12-30(24(32)18-8-9-18)17-23(31)29-15-13-28(14-16-29)22-11-10-21(26-27-22)19-6-4-5-7-20(19)25/h4-7,10-11,18H,2-3,8-9,12-17H2,1H3.
What are the key properties of N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 455.99 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 46001938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).