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

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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).