2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide

C29H33N5O3 — CID 121438958

IUPAC2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide
SMILESCC(=O)NC1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)COC4)cc3)nn2)CC1
InChIInChI=1S/C29H33N5O3/c1-19(35)31-24-13-7-20(8-14-24)15-27(36)32-26-16-25(21-5-3-2-4-6-21)28(34-33-26)22-9-11-23(12-10-22)29(30)17-37-18-29/h2-6,9-12,16,20,24H,7-8,13-15,17-18,30H2,1H3,(H,31,35)(H,32,33,36)
InChIKeyDJVZYLGFPDEFFC-UHFFFAOYSA-N
MW499.62 g/mol
LogP4.02
Rot. Bonds7

About 2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide

2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide (PubChem CID 121438958) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide
PubChem CID121438958
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide
SMILESCC(=O)NC1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)COC4)cc3)nn2)CC1
InChIInChI=1S/C29H33N5O3/c1-19(35)31-24-13-7-20(8-14-24)15-27(36)32-26-16-25(21-5-3-2-4-6-21)28(34-33-26)22-9-11-23(12-10-22)29(30)17-37-18-29/h2-6,9-12,16,20,24H,7-8,13-15,17-18,30H2,1H3,(H,31,35)(H,32,33,36)
InChIKeyDJVZYLGFPDEFFC-UHFFFAOYSA-N
XLogP4.02
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide (CID 121438958) is 2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide is CC(=O)NC1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)COC4)cc3)nn2)CC1.
What is the InChIKey of 2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide?
The InChIKey is DJVZYLGFPDEFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-19(35)31-24-13-7-20(8-14-24)15-27(36)32-26-16-25(21-5-3-2-4-6-21)28(34-33-26)22-9-11-23(12-10-22)29(30)17-37-18-29/h2-6,9-12,16,20,24H,7-8,13-15,17-18,30H2,1H3,(H,31,35)(H,32,33,36).
What are the key properties of 2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide?
2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide has a molecular weight of 499.62 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidocyclohexyl)-N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide is sourced from PubChem (CID 121438958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).