N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide

C21H27N3O3 — CID 16885182

IUPACN-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1cccc(-c2ccc(=O)n(CCCC(=O)NC3CCCCC3)n2)c1
InChIInChI=1S/C21H27N3O3/c1-27-18-10-5-7-16(15-18)19-12-13-21(26)24(23-19)14-6-11-20(25)22-17-8-3-2-4-9-17/h5,7,10,12-13,15,17H,2-4,6,8-9,11,14H2,1H3,(H,22,25)
InChIKeyOQIDZPSBXFDJIF-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.15
Rot. Bonds7

About N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide

N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885182) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885182
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC NameN-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1cccc(-c2ccc(=O)n(CCCC(=O)NC3CCCCC3)n2)c1
InChIInChI=1S/C21H27N3O3/c1-27-18-10-5-7-16(15-18)19-12-13-21(26)24(23-19)14-6-11-20(25)22-17-8-3-2-4-9-17/h5,7,10,12-13,15,17H,2-4,6,8-9,11,14H2,1H3,(H,22,25)
InChIKeyOQIDZPSBXFDJIF-UHFFFAOYSA-N
XLogP3.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885237
N-[(4-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885202
N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885211
N-[(4-chlorophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885276
N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885266
4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-nitrophenyl)butanamide
CID 16885226
N-[(2-chlorophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885281
N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51044455
N-(4-butylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885261
3-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide
CID 51366015
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043250

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885182) is N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is COc1cccc(-c2ccc(=O)n(CCCC(=O)NC3CCCCC3)n2)c1.
What is the InChIKey of N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is OQIDZPSBXFDJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-27-18-10-5-7-16(15-18)19-12-13-21(26)24(23-19)14-6-11-20(25)22-17-8-3-2-4-9-17/h5,7,10,12-13,15,17H,2-4,6,8-9,11,14H2,1H3,(H,22,25).
What are the key properties of N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 369.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).