5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid

C20H18N4O4 — CID 67108643

IUPAC5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid
SMILESCCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccc(C(=O)O)nc2)c1=O
InChIInChI=1S/C20H18N4O4/c1-3-24-19(26)18(22-14-9-10-15(20(27)28)21-11-14)16(12(2)25)17(23-24)13-7-5-4-6-8-13/h4-11,22H,3H2,1-2H3,(H,27,28)
InChIKeyVBTJYOAZPAPGTE-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.97
Rot. Bonds6

About 5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid

5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid (PubChem CID 67108643) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid
PubChem CID67108643
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid
SMILESCCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccc(C(=O)O)nc2)c1=O
InChIInChI=1S/C20H18N4O4/c1-3-24-19(26)18(22-14-9-10-15(20(27)28)21-11-14)16(12(2)25)17(23-24)13-7-5-4-6-8-13/h4-11,22H,3H2,1-2H3,(H,27,28)
InChIKeyVBTJYOAZPAPGTE-UHFFFAOYSA-N
XLogP2.97
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid with MolForge

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Related Compounds

4-[(5-acetyl-2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]-2-methylbenzoic acid
CID 69142744
5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one
CID 68896107
5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one
CID 67109630
5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one
CID 10069141
[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino] thiophene-2-carboxylate
CID 90690543
[5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]quinolin-8-yl] hydrogen carbonate
CID 69142730
5-acetyl-4-(3-bromoanilino)-2-ethyl-6-(3-fluorophenyl)pyridazin-3-one
CID 10094189
3-[4-acetyl-1-ethyl-6-oxo-5-(pyridin-3-ylamino)pyridazin-3-yl]-2-methylbenzoic acid
CID 69139320
5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one
CID 69154226
4-[(5-acetyl-3-oxo-6-phenyl-2-propan-2-ylpyridazin-4-yl)amino]benzoic acid
CID 69154688
acetyloxymethyl 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate
CID 11676167
5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one
CID 67108642

Frequently Asked Questions

What is the IUPAC name of 5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid (CID 67108643) is 5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid is CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccc(C(=O)O)nc2)c1=O.
What is the InChIKey of 5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is VBTJYOAZPAPGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-3-24-19(26)18(22-14-9-10-15(20(27)28)21-11-14)16(12(2)25)17(23-24)13-7-5-4-6-8-13/h4-11,22H,3H2,1-2H3,(H,27,28).
What are the key properties of 5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid?
5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 378.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 67108643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).