N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide

C14H14ClN3O — CID 14280297

IUPACN-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1cccc(-c2ccc(Cl)nn2)c1
InChIInChI=1S/C14H14ClN3O/c1-3-18(10(2)19)12-6-4-5-11(9-12)13-7-8-14(15)17-16-13/h4-9H,3H2,1-2H3
InChIKeyZMRKEXAXXGBIPX-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.17
Rot. Bonds3

About N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide

N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide (PubChem CID 14280297) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide
PubChem CID14280297
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1cccc(-c2ccc(Cl)nn2)c1
InChIInChI=1S/C14H14ClN3O/c1-3-18(10(2)19)12-6-4-5-11(9-12)13-7-8-14(15)17-16-13/h4-9H,3H2,1-2H3
InChIKeyZMRKEXAXXGBIPX-UHFFFAOYSA-N
XLogP3.17
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide?
The IUPAC name of N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide (CID 14280297) is N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide.
What is the SMILES notation for N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide?
The canonical SMILES for N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide is CCN(C(C)=O)c1cccc(-c2ccc(Cl)nn2)c1.
What is the InChIKey of N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide?
The InChIKey is ZMRKEXAXXGBIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-3-18(10(2)19)12-6-4-5-11(9-12)13-7-8-14(15)17-16-13/h4-9H,3H2,1-2H3.
What are the key properties of N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide?
N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide has a molecular weight of 275.74 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylacetamide is sourced from PubChem (CID 14280297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).