3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile

C24H23N5O — CID 109125780

IUPAC3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
SMILESN#Cc1cccc(Nc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)nn2)c1
InChIInChI=1S/C24H23N5O/c25-17-20-7-4-8-21(16-20)26-23-10-9-22(27-28-23)24(30)29-13-11-19(12-14-29)15-18-5-2-1-3-6-18/h1-10,16,19H,11-15H2,(H,26,28)
InChIKeyWSSNZLSKUJFOIY-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.19
Rot. Bonds5

About 3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile

3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile (PubChem CID 109125780) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
PubChem CID109125780
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
SMILESN#Cc1cccc(Nc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)nn2)c1
InChIInChI=1S/C24H23N5O/c25-17-20-7-4-8-21(16-20)26-23-10-9-22(27-28-23)24(30)29-13-11-19(12-14-29)15-18-5-2-1-3-6-18/h1-10,16,19H,11-15H2,(H,26,28)
InChIKeyWSSNZLSKUJFOIY-UHFFFAOYSA-N
XLogP4.19
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(4-benzylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
CID 109123091
3-[[6-(4-acetylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
CID 109117337
(4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone
CID 109115841
(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
CID 2535656
N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125140
[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113392
6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115775
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
3-[[2-phenyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 112852979
6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126285
6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109117831
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-cyanobenzoate
CID 2626235

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile?
The IUPAC name of 3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile (CID 109125780) is 3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile.
What is the SMILES notation for 3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile?
The canonical SMILES for 3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile is N#Cc1cccc(Nc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)nn2)c1.
What is the InChIKey of 3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile?
The InChIKey is WSSNZLSKUJFOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c25-17-20-7-4-8-21(16-20)26-23-10-9-22(27-28-23)24(30)29-13-11-19(12-14-29)15-18-5-2-1-3-6-18/h1-10,16,19H,11-15H2,(H,26,28).
What are the key properties of 3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile?
3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile has a molecular weight of 397.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile is sourced from PubChem (CID 109125780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).