5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile

C19H20N4O2 — CID 35300920

IUPAC5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile
SMILESCc1nn(Cc2ccc(C(=O)N3CCCC3)cc2)c(=O)c(C#N)c1C
InChIInChI=1S/C19H20N4O2/c1-13-14(2)21-23(19(25)17(13)11-20)12-15-5-7-16(8-6-15)18(24)22-9-3-4-10-22/h5-8H,3-4,9-10,12H2,1-2H3
InChIKeyPHKHOMKHUFDIIM-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.02
Rot. Bonds3

About 5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile

5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile (PubChem CID 35300920) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile
PubChem CID35300920
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile
SMILESCc1nn(Cc2ccc(C(=O)N3CCCC3)cc2)c(=O)c(C#N)c1C
InChIInChI=1S/C19H20N4O2/c1-13-14(2)21-23(19(25)17(13)11-20)12-15-5-7-16(8-6-15)18(24)22-9-3-4-10-22/h5-8H,3-4,9-10,12H2,1-2H3
InChIKeyPHKHOMKHUFDIIM-UHFFFAOYSA-N
XLogP2.02
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile (CID 35300920) is 5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile is Cc1nn(Cc2ccc(C(=O)N3CCCC3)cc2)c(=O)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile?
The InChIKey is PHKHOMKHUFDIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-14(2)21-23(19(25)17(13)11-20)12-15-5-7-16(8-6-15)18(24)22-9-3-4-10-22/h5-8H,3-4,9-10,12H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile?
5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile is sourced from PubChem (CID 35300920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).