N-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide

C21H27N3O2 — CID 51366065

IUPACN-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2ccc(=O)n(CCC(=O)NC3CCCCC3)n2)cc1C
InChIInChI=1S/C21H27N3O2/c1-15-8-9-17(14-16(15)2)19-10-11-21(26)24(23-19)13-12-20(25)22-18-6-4-3-5-7-18/h8-11,14,18H,3-7,12-13H2,1-2H3,(H,22,25)
InChIKeyNJEFOCCEDJGEOV-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.37
Rot. Bonds5

About N-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide

N-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 51366065) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID51366065
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2ccc(=O)n(CCC(=O)NC3CCCCC3)n2)cc1C
InChIInChI=1S/C21H27N3O2/c1-15-8-9-17(14-16(15)2)19-10-11-21(26)24(23-19)13-12-20(25)22-18-6-4-3-5-7-18/h8-11,14,18H,3-7,12-13H2,1-2H3,(H,22,25)
InChIKeyNJEFOCCEDJGEOV-UHFFFAOYSA-N
XLogP3.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide (CID 51366065) is N-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide is Cc1ccc(-c2ccc(=O)n(CCC(=O)NC3CCCCC3)n2)cc1C.
What is the InChIKey of N-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is NJEFOCCEDJGEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-8-9-17(14-16(15)2)19-10-11-21(26)24(23-19)13-12-20(25)22-18-6-4-3-5-7-18/h8-11,14,18H,3-7,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
N-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 51366065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).