N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide

C13H13ClN4O — CID 106895695

IUPACN-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide
SMILESO=C(CNCc1cccnn1)Nc1ccccc1Cl
InChIInChI=1S/C13H13ClN4O/c14-11-5-1-2-6-12(11)17-13(19)9-15-8-10-4-3-7-16-18-10/h1-7,15H,8-9H2,(H,17,19)
InChIKeyUZJNPNPDYMMFAV-UHFFFAOYSA-N
MW276.73 g/mol
LogP1.86
Rot. Bonds5

About N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide

N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide (PubChem CID 106895695) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide
PubChem CID106895695
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC NameN-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide
SMILESO=C(CNCc1cccnn1)Nc1ccccc1Cl
InChIInChI=1S/C13H13ClN4O/c14-11-5-1-2-6-12(11)17-13(19)9-15-8-10-4-3-7-16-18-10/h1-7,15H,8-9H2,(H,17,19)
InChIKeyUZJNPNPDYMMFAV-UHFFFAOYSA-N
XLogP1.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895878
N-(4-fluorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895590
N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283813
N-(2-chlorophenyl)-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579213
N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
CID 28563439
N-(2-chlorophenyl)-2-[(3-fluorophenyl)methylamino]acetamide
CID 28970696
2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide
CID 113313241
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide
CID 115989688
N-(2-chlorophenyl)-2-[(4-hydroxy-2-methylbutyl)amino]acetamide
CID 66089065
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660334

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide (CID 106895695) is N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide is O=C(CNCc1cccnn1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide?
The InChIKey is UZJNPNPDYMMFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-11-5-1-2-6-12(11)17-13(19)9-15-8-10-4-3-7-16-18-10/h1-7,15H,8-9H2,(H,17,19).
What are the key properties of N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide?
N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide has a molecular weight of 276.73 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide is sourced from PubChem (CID 106895695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).