3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide

C20H20N4O2 — CID 3241660

IUPAC3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccccn3)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-15-5-7-16(8-6-15)18-9-10-20(26)24(23-18)13-11-19(25)22-14-17-4-2-3-12-21-17/h2-10,12H,11,13-14H2,1H3,(H,22,25)
InChIKeyDQTBFKPBQOQSPF-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.32
Rot. Bonds6

About 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide

3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 3241660) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID3241660
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccccn3)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-15-5-7-16(8-6-15)18-9-10-20(26)24(23-18)13-11-19(25)22-14-17-4-2-3-12-21-17/h2-10,12H,11,13-14H2,1H3,(H,22,25)
InChIKeyDQTBFKPBQOQSPF-UHFFFAOYSA-N
XLogP2.32
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 3241660) is 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide is Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccccn3)n2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is DQTBFKPBQOQSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15-5-7-16(8-6-15)18-9-10-20(26)24(23-18)13-11-19(25)22-14-17-4-2-3-12-21-17/h2-10,12H,11,13-14H2,1H3,(H,22,25).
What are the key properties of 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 348.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 3241660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).