2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide

C12H19ClN4O — CID 104513833

IUPAC2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)Cc1ccc(Cl)nn1
InChIInChI=1S/C12H19ClN4O/c1-9(2)6-14-12(18)8-17(3)7-10-4-5-11(13)16-15-10/h4-5,9H,6-8H2,1-3H3,(H,14,18)
InChIKeyLBHNFEOXEXMBMV-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.33
Rot. Bonds6

About 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide

2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 104513833) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID104513833
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)Cc1ccc(Cl)nn1
InChIInChI=1S/C12H19ClN4O/c1-9(2)6-14-12(18)8-17(3)7-10-4-5-11(13)16-15-10/h4-5,9H,6-8H2,1-3H3,(H,14,18)
InChIKeyLBHNFEOXEXMBMV-UHFFFAOYSA-N
XLogP1.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide
CID 104513610
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 78793300
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 86976781
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107878631
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 102716156
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 102665596
(2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide
CID 66568908
3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 113409388
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 112685371
2-[(2-cyano-5-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107902919
2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide
CID 113171103
N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine
CID 104513539

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide (CID 104513833) is 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)Cc1ccc(Cl)nn1.
What is the InChIKey of 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is LBHNFEOXEXMBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-9(2)6-14-12(18)8-17(3)7-10-4-5-11(13)16-15-10/h4-5,9H,6-8H2,1-3H3,(H,14,18).
What are the key properties of 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 270.76 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 104513833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).