N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide

C13H12ClN3O — CID 58006576

IUPACN-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nnc(Cl)cc2C)c1
InChIInChI=1S/C13H12ClN3O/c1-8-6-12(14)16-17-13(8)10-4-3-5-11(7-10)15-9(2)18/h3-7H,1-2H3,(H,15,18)
InChIKeyJWIKOJPXTCUDNR-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.06
Rot. Bonds2

About N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide

N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide (PubChem CID 58006576) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide
PubChem CID58006576
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nnc(Cl)cc2C)c1
InChIInChI=1S/C13H12ClN3O/c1-8-6-12(14)16-17-13(8)10-4-3-5-11(7-10)15-9(2)18/h3-7H,1-2H3,(H,15,18)
InChIKeyJWIKOJPXTCUDNR-UHFFFAOYSA-N
XLogP3.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 82530174
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-[3-(5-chloro-2-hydroxyphenyl)phenyl]acetamide
CID 134858754
N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide
CID 82371371
3-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylbenzamide;3-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylbenzamide
CID 162093498
N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide
CID 71003917
N-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide
CID 50976172
3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
2-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223643
N-(3-methylphenyl)acetamide
CID 10843
N-[3-(carbamoylamino)sulfanylphenyl]acetamide
CID 174313236
4-(3-acetamidophenyl)benzoate
CID 86306420

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide (CID 58006576) is N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2nnc(Cl)cc2C)c1.
What is the InChIKey of N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is JWIKOJPXTCUDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-6-12(14)16-17-13(8)10-4-3-5-11(7-10)15-9(2)18/h3-7H,1-2H3,(H,15,18).
What are the key properties of N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide?
N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 261.71 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 58006576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).