N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

C26H29ClN4O2 — CID 57397816

IUPACN-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)ccc3=O)CC2)c1
InChIInChI=1S/C26H29ClN4O2/c1-19(32)28-24-5-2-4-22(18-24)20-12-16-30(17-13-20)14-3-15-31-26(33)11-10-25(29-31)21-6-8-23(27)9-7-21/h2,4-11,18,20H,3,12-17H2,1H3,(H,28,32)
InChIKeyNNCGMLUTAMGCGM-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.79
Rot. Bonds7

About N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 57397816) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID57397816
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC NameN-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)ccc3=O)CC2)c1
InChIInChI=1S/C26H29ClN4O2/c1-19(32)28-24-5-2-4-22(18-24)20-12-16-30(17-13-20)14-3-15-31-26(33)11-10-25(29-31)21-6-8-23(27)9-7-21/h2,4-11,18,20H,3,12-17H2,1H3,(H,28,32)
InChIKeyNNCGMLUTAMGCGM-UHFFFAOYSA-N
XLogP4.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 57397816) is N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)ccc3=O)CC2)c1.
What is the InChIKey of N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is NNCGMLUTAMGCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-19(32)28-24-5-2-4-22(18-24)20-12-16-30(17-13-20)14-3-15-31-26(33)11-10-25(29-31)21-6-8-23(27)9-7-21/h2,4-11,18,20H,3,12-17H2,1H3,(H,28,32).
What are the key properties of N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 465.00 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 57397816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).