N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide

C22H33ClN4O2 — CID 20968208

IUPACN-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
SMILESCC(C)CN(CCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O)CC(C)C
InChIInChI=1S/C22H33ClN4O2/c1-16(2)13-26(14-17(3)4)12-11-24-21(28)15-27-22(29)10-9-20(25-27)18-5-7-19(23)8-6-18/h5-8,16-17H,9-15H2,1-4H3,(H,24,28)
InChIKeyRXGSCIODIVICLM-UHFFFAOYSA-N
MW420.99 g/mol
LogP3.40
Rot. Bonds10

About N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide

N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide (PubChem CID 20968208) has the molecular formula C22H33ClN4O2 and a molecular weight of 420.99 g/mol. Its IUPAC name is N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
PubChem CID20968208
Molecular FormulaC22H33ClN4O2
Molecular Weight420.99 g/mol
Exact Mass420.23
IUPAC NameN-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
SMILESCC(C)CN(CCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O)CC(C)C
InChIInChI=1S/C22H33ClN4O2/c1-16(2)13-26(14-17(3)4)12-11-24-21(28)15-27-22(29)10-9-20(25-27)18-5-7-19(23)8-6-18/h5-8,16-17H,9-15H2,1-4H3,(H,24,28)
InChIKeyRXGSCIODIVICLM-UHFFFAOYSA-N
XLogP3.40
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.99
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The IUPAC name of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide (CID 20968208) is N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide.
What is the SMILES notation for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The canonical SMILES for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide is CC(C)CN(CCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O)CC(C)C.
What is the InChIKey of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The InChIKey is RXGSCIODIVICLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN4O2/c1-16(2)13-26(14-17(3)4)12-11-24-21(28)15-27-22(29)10-9-20(25-27)18-5-7-19(23)8-6-18/h5-8,16-17H,9-15H2,1-4H3,(H,24,28).
What are the key properties of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide has a molecular weight of 420.99 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide is sourced from PubChem (CID 20968208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).