4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide

C18H23N3O3 — CID 16885023

IUPAC4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)NC(C)C)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-13(2)19-17(22)5-4-12-21-18(23)11-10-16(20-21)14-6-8-15(24-3)9-7-14/h6-11,13H,4-5,12H2,1-3H3,(H,19,22)
InChIKeyGANXNYOUFFPVKI-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.22
Rot. Bonds7

About 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide

4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide (PubChem CID 16885023) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
PubChem CID16885023
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)NC(C)C)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-13(2)19-17(22)5-4-12-21-18(23)11-10-16(20-21)14-6-8-15(24-3)9-7-14/h6-11,13H,4-5,12H2,1-3H3,(H,19,22)
InChIKeyGANXNYOUFFPVKI-UHFFFAOYSA-N
XLogP2.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide (CID 16885023) is 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide is COc1ccc(-c2ccc(=O)n(CCCC(=O)NC(C)C)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide?
The InChIKey is GANXNYOUFFPVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(2)19-17(22)5-4-12-21-18(23)11-10-16(20-21)14-6-8-15(24-3)9-7-14/h6-11,13H,4-5,12H2,1-3H3,(H,19,22).
What are the key properties of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide?
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide has a molecular weight of 329.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 16885023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).