4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile

C18H15N5O — CID 11404329

IUPAC4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile
SMILESCCn1nc(-c2ccncc2)cc(Nc2ccc(C#N)cc2)c1=O
InChIInChI=1S/C18H15N5O/c1-2-23-18(24)17(21-15-5-3-13(12-19)4-6-15)11-16(22-23)14-7-9-20-10-8-14/h3-11,21H,2H2,1H3
InChIKeyJCZDPMNUHOXWHP-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.94
Rot. Bonds4

About 4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile

4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile (PubChem CID 11404329) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile
PubChem CID11404329
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile
SMILESCCn1nc(-c2ccncc2)cc(Nc2ccc(C#N)cc2)c1=O
InChIInChI=1S/C18H15N5O/c1-2-23-18(24)17(21-15-5-3-13(12-19)4-6-15)11-16(22-23)14-7-9-20-10-8-14/h3-11,21H,2H2,1H3
InChIKeyJCZDPMNUHOXWHP-UHFFFAOYSA-N
XLogP2.94
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile?
The IUPAC name of 4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile (CID 11404329) is 4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile?
The canonical SMILES for 4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile is CCn1nc(-c2ccncc2)cc(Nc2ccc(C#N)cc2)c1=O.
What is the InChIKey of 4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile?
The InChIKey is JCZDPMNUHOXWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-2-23-18(24)17(21-15-5-3-13(12-19)4-6-15)11-16(22-23)14-7-9-20-10-8-14/h3-11,21H,2H2,1H3.
What are the key properties of 4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile?
4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile has a molecular weight of 317.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile is sourced from PubChem (CID 11404329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).