N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide

C22H29N3O2 — CID 16885648

IUPACN-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCc1ccc(-c2ccc(=O)n(CCCC(=O)NC3CCCCC3C)n2)cc1
InChIInChI=1S/C22H29N3O2/c1-16-9-11-18(12-10-16)20-13-14-22(27)25(24-20)15-5-8-21(26)23-19-7-4-3-6-17(19)2/h9-14,17,19H,3-8,15H2,1-2H3,(H,23,26)
InChIKeyJJUGTAOPRSPGJU-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.69
Rot. Bonds6

About N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide

N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885648) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885648
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCc1ccc(-c2ccc(=O)n(CCCC(=O)NC3CCCCC3C)n2)cc1
InChIInChI=1S/C22H29N3O2/c1-16-9-11-18(12-10-16)20-13-14-22(27)25(24-20)15-5-8-21(26)23-19-7-4-3-6-17(19)2/h9-14,17,19H,3-8,15H2,1-2H3,(H,23,26)
InChIKeyJJUGTAOPRSPGJU-UHFFFAOYSA-N
XLogP3.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylcyclohexyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 4136100
N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885644
N-[(1S,2S)-2-methylcyclohexyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 94799870
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
CID 16885773
N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885182
N-cycloheptyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885237
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 24640348
N-[(1S,2R)-2-methylcyclopentyl]-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 99804550
2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one
CID 25280934
N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 16885772
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734800

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885648) is N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide is Cc1ccc(-c2ccc(=O)n(CCCC(=O)NC3CCCCC3C)n2)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is JJUGTAOPRSPGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-9-11-18(12-10-16)20-13-14-22(27)25(24-20)15-5-8-21(26)23-19-7-4-3-6-17(19)2/h9-14,17,19H,3-8,15H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 367.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).