N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide

C18H22ClN3O2 — CID 121059131

IUPACN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C18H22ClN3O2/c1-3-13(4-2)18(24)20-11-12-22-17(23)10-9-16(21-22)14-5-7-15(19)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,24)
InChIKeyVYHUXWOGSAGLKM-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.12
Rot. Bonds7

About N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide

N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide (PubChem CID 121059131) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide
PubChem CID121059131
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C18H22ClN3O2/c1-3-13(4-2)18(24)20-11-12-22-17(23)10-9-16(21-22)14-5-7-15(19)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,24)
InChIKeyVYHUXWOGSAGLKM-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide (CID 121059131) is N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide?
The InChIKey is VYHUXWOGSAGLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-3-13(4-2)18(24)20-11-12-22-17(23)10-9-16(21-22)14-5-7-15(19)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,24).
What are the key properties of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide?
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide has a molecular weight of 347.85 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide is sourced from PubChem (CID 121059131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).