2-chloro-N-(pyridazin-3-ylmethyl)propanamide

C8H10ClN3O — CID 106895464

IUPAC2-chloro-N-(pyridazin-3-ylmethyl)propanamide
SMILESCC(Cl)C(=O)NCc1cccnn1
InChIInChI=1S/C8H10ClN3O/c1-6(9)8(13)10-5-7-3-2-4-11-12-7/h2-4,6H,5H2,1H3,(H,10,13)
InChIKeyCNBLDISQXOGBDC-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.72
Rot. Bonds3

About 2-chloro-N-(pyridazin-3-ylmethyl)propanamide

2-chloro-N-(pyridazin-3-ylmethyl)propanamide (PubChem CID 106895464) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-N-(pyridazin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(pyridazin-3-ylmethyl)propanamide
PubChem CID106895464
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name2-chloro-N-(pyridazin-3-ylmethyl)propanamide
SMILESCC(Cl)C(=O)NCc1cccnn1
InChIInChI=1S/C8H10ClN3O/c1-6(9)8(13)10-5-7-3-2-4-11-12-7/h2-4,6H,5H2,1H3,(H,10,13)
InChIKeyCNBLDISQXOGBDC-UHFFFAOYSA-N
XLogP0.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896139
(2R)-2-amino-N-(pyridazin-3-ylmethyl)pentanamide
CID 107570944
2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 127017343
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
2-methyl-3-(pyridazin-3-ylmethylamino)propanamide
CID 106895597
2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
CID 106894537
(2S)-3-methyl-2-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897193
3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897084
2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid
CID 106895586
2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
1-benzyl-3-(pyridazin-3-ylmethyl)urea
CID 106831656
2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106834522

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridazin-3-ylmethyl)propanamide?
The IUPAC name of 2-chloro-N-(pyridazin-3-ylmethyl)propanamide (CID 106895464) is 2-chloro-N-(pyridazin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(pyridazin-3-ylmethyl)propanamide?
The canonical SMILES for 2-chloro-N-(pyridazin-3-ylmethyl)propanamide is CC(Cl)C(=O)NCc1cccnn1.
What is the InChIKey of 2-chloro-N-(pyridazin-3-ylmethyl)propanamide?
The InChIKey is CNBLDISQXOGBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-6(9)8(13)10-5-7-3-2-4-11-12-7/h2-4,6H,5H2,1H3,(H,10,13).
What are the key properties of 2-chloro-N-(pyridazin-3-ylmethyl)propanamide?
2-chloro-N-(pyridazin-3-ylmethyl)propanamide has a molecular weight of 199.64 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridazin-3-ylmethyl)propanamide is sourced from PubChem (CID 106895464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).