N-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide

C25H36N6O — CID 70827383

IUPACN-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide
SMILESCCN(CCN(C)C1CCC1)C(=O)CN1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C25H36N6O/c1-3-30(17-14-28(2)22-10-7-11-22)25(32)20-29-15-18-31(19-16-29)24-13-12-23(26-27-24)21-8-5-4-6-9-21/h4-6,8-9,12-13,22H,3,7,10-11,14-20H2,1-2H3
InChIKeyLCLDSMOEKKBWCW-UHFFFAOYSA-N
MW436.60 g/mol
LogP2.60
Rot. Bonds9

About N-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide

N-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide (PubChem CID 70827383) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide
PubChem CID70827383
Molecular FormulaC25H36N6O
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC NameN-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide
SMILESCCN(CCN(C)C1CCC1)C(=O)CN1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C25H36N6O/c1-3-30(17-14-28(2)22-10-7-11-22)25(32)20-29-15-18-31(19-16-29)24-13-12-23(26-27-24)21-8-5-4-6-9-21/h4-6,8-9,12-13,22H,3,7,10-11,14-20H2,1-2H3
InChIKeyLCLDSMOEKKBWCW-UHFFFAOYSA-N
XLogP2.60
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide (CID 70827383) is N-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide is CCN(CCN(C)C1CCC1)C(=O)CN1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of N-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide?
The InChIKey is LCLDSMOEKKBWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O/c1-3-30(17-14-28(2)22-10-7-11-22)25(32)20-29-15-18-31(19-16-29)24-13-12-23(26-27-24)21-8-5-4-6-9-21/h4-6,8-9,12-13,22H,3,7,10-11,14-20H2,1-2H3.
What are the key properties of N-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide?
N-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide has a molecular weight of 436.60 g/mol, XLogP of 2.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 70827383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).