N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide

C21H29N5O2 — CID 91841614

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CN2CCN(c3cnn(C)c(=O)c3)CC2)c1
InChIInChI=1S/C21H29N5O2/c1-15-5-6-16(2)19(11-15)17(3)23-20(27)14-25-7-9-26(10-8-25)18-12-21(28)24(4)22-13-18/h5-6,11-13,17H,7-10,14H2,1-4H3,(H,23,27)
InChIKeyLWJPIHXXWBRUFU-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.40
Rot. Bonds5

About N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide

N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide (PubChem CID 91841614) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
PubChem CID91841614
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CN2CCN(c3cnn(C)c(=O)c3)CC2)c1
InChIInChI=1S/C21H29N5O2/c1-15-5-6-16(2)19(11-15)17(3)23-20(27)14-25-7-9-26(10-8-25)18-12-21(28)24(4)22-13-18/h5-6,11-13,17H,7-10,14H2,1-4H3,(H,23,27)
InChIKeyLWJPIHXXWBRUFU-UHFFFAOYSA-N
XLogP1.40
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998269
N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide
CID 60851256
2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 51618800
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 124752230
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 124755182
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 16549115
N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998493
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171998509
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688549
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124852044
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 91831331
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 175651502

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide (CID 91841614) is N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide is Cc1ccc(C)c(C(C)NC(=O)CN2CCN(c3cnn(C)c(=O)c3)CC2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is LWJPIHXXWBRUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15-5-6-16(2)19(11-15)17(3)23-20(27)14-25-7-9-26(10-8-25)18-12-21(28)24(4)22-13-18/h5-6,11-13,17H,7-10,14H2,1-4H3,(H,23,27).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 383.50 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 91841614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).