5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one

C16H14N4O2 — CID 118715638

IUPAC5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESCOc1ccc(Nc2cc(-c3ccncc3)n[nH]c2=O)cc1
InChIInChI=1S/C16H14N4O2/c1-22-13-4-2-12(3-5-13)18-15-10-14(19-20-16(15)21)11-6-8-17-9-7-11/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyPWGYOOFZRYVRNQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.58
Rot. Bonds4

About 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one

5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one (PubChem CID 118715638) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one
PubChem CID118715638
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESCOc1ccc(Nc2cc(-c3ccncc3)n[nH]c2=O)cc1
InChIInChI=1S/C16H14N4O2/c1-22-13-4-2-12(3-5-13)18-15-10-14(19-20-16(15)21)11-6-8-17-9-7-11/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyPWGYOOFZRYVRNQ-UHFFFAOYSA-N
XLogP2.58
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[(E)-(4-methoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 5390727
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
CID 6880157
N-(2-Methoxy-phenyl)-3-[(pyridine-2-carbonyl)-hydrazono]-butyramide
CID 9592392
N-(4-methoxyphenyl)-2-pyridinecarboxamide
CID 821516
N'-(2-methoxybenzylidene)isonicotinohydrazide
CID 9568164
3-(2-methoxyphenyl)-N-3-pyridinylacrylamide
CID 895797
N'-[2-(4-methoxyphenyl)acetyl]pyridine-2-carbohydrazide
CID 5099490
N-[(E)-[4-(4-methoxyanilino)-4-oxobutan-2-ylidene]amino]pyrazine-2-carboxamide
CID 5344887
isonicotinaldehyde O-{[(4-methoxyphenyl)amino]carbonyl}oxime
CID 5722938
(E)-4-methoxy-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzamide
CID 6881724
N-{2-[2-(4-methoxybenzylidene)hydrazino]-2-oxoethyl}isonicotinamide
CID 9643723
N-({N'-[(1E)-1-(4-Methoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)pyridine-3-carboxamide
CID 9657252

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one?
The IUPAC name of 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one (CID 118715638) is 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one is COc1ccc(Nc2cc(-c3ccncc3)n[nH]c2=O)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one?
The InChIKey is PWGYOOFZRYVRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-13-4-2-12(3-5-13)18-15-10-14(19-20-16(15)21)11-6-8-17-9-7-11/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one?
5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one has a molecular weight of 294.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 118715638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).