3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide

C18H16N6O — CID 172882805

IUPAC3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(C#N)c1)C1CN(c2ccc3nccn3n2)C1
InChIInChI=1S/C18H16N6O/c1-22(18(25)14-4-2-3-13(9-14)10-19)15-11-23(12-15)17-6-5-16-20-7-8-24(16)21-17/h2-9,15H,11-12H2,1H3
InChIKeyCNTWTTAZIBGWPW-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.56
Rot. Bonds3

About 3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide

3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide (PubChem CID 172882805) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide
PubChem CID172882805
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(C#N)c1)C1CN(c2ccc3nccn3n2)C1
InChIInChI=1S/C18H16N6O/c1-22(18(25)14-4-2-3-13(9-14)10-19)15-11-23(12-15)17-6-5-16-20-7-8-24(16)21-17/h2-9,15H,11-12H2,1H3
InChIKeyCNTWTTAZIBGWPW-UHFFFAOYSA-N
XLogP1.56
TPSA77.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide?
The IUPAC name of 3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide (CID 172882805) is 3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide.
What is the SMILES notation for 3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide?
The canonical SMILES for 3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide is CN(C(=O)c1cccc(C#N)c1)C1CN(c2ccc3nccn3n2)C1.
What is the InChIKey of 3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide?
The InChIKey is CNTWTTAZIBGWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-22(18(25)14-4-2-3-13(9-14)10-19)15-11-23(12-15)17-6-5-16-20-7-8-24(16)21-17/h2-9,15H,11-12H2,1H3.
What are the key properties of 3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide?
3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide has a molecular weight of 332.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide is sourced from PubChem (CID 172882805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).