2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide

C14H22N4O — CID 106896114

IUPAC2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide
SMILESCNC1(CC(=O)NCc2cccnn2)CCCCC1
InChIInChI=1S/C14H22N4O/c1-15-14(7-3-2-4-8-14)10-13(19)16-11-12-6-5-9-17-18-12/h5-6,9,15H,2-4,7-8,10-11H2,1H3,(H,16,19)
InChIKeyQIOCBWOEIZBFIK-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.41
Rot. Bonds5

About 2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide

2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide (PubChem CID 106896114) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide
PubChem CID106896114
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide
SMILESCNC1(CC(=O)NCc2cccnn2)CCCCC1
InChIInChI=1S/C14H22N4O/c1-15-14(7-3-2-4-8-14)10-13(19)16-11-12-6-5-9-17-18-12/h5-6,9,15H,2-4,7-8,10-11H2,1H3,(H,16,19)
InChIKeyQIOCBWOEIZBFIK-UHFFFAOYSA-N
XLogP1.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241416
N-[(5-ethylthiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 106011884
2-[1-(methylamino)cyclohexyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 65240965
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
CID 106896221
2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106834522
3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106896186
2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896058
1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106897054
2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 65242126
1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide
CID 106896257

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide (CID 106896114) is 2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide is CNC1(CC(=O)NCc2cccnn2)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide?
The InChIKey is QIOCBWOEIZBFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-15-14(7-3-2-4-8-14)10-13(19)16-11-12-6-5-9-17-18-12/h5-6,9,15H,2-4,7-8,10-11H2,1H3,(H,16,19).
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide?
2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide has a molecular weight of 262.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide is sourced from PubChem (CID 106896114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).