5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile

C20H25N5 — CID 31536803

IUPAC5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile
SMILESCc1nnc(N(C)Cc2ccccc2N2CCCCC2)c(C#N)c1C
InChIInChI=1S/C20H25N5/c1-15-16(2)22-23-20(18(15)13-21)24(3)14-17-9-5-6-10-19(17)25-11-7-4-8-12-25/h5-6,9-10H,4,7-8,11-12,14H2,1-3H3
InChIKeyUCTAJUQCLOCOLN-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.59
Rot. Bonds4

About 5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile (PubChem CID 31536803) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile
PubChem CID31536803
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile
SMILESCc1nnc(N(C)Cc2ccccc2N2CCCCC2)c(C#N)c1C
InChIInChI=1S/C20H25N5/c1-15-16(2)22-23-20(18(15)13-21)24(3)14-17-9-5-6-10-19(17)25-11-7-4-8-12-25/h5-6,9-10H,4,7-8,11-12,14H2,1-3H3
InChIKeyUCTAJUQCLOCOLN-UHFFFAOYSA-N
XLogP3.59
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.59
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-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile (CID 31536803) is 5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile is Cc1nnc(N(C)Cc2ccccc2N2CCCCC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile?
The InChIKey is UCTAJUQCLOCOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-15-16(2)22-23-20(18(15)13-21)24(3)14-17-9-5-6-10-19(17)25-11-7-4-8-12-25/h5-6,9-10H,4,7-8,11-12,14H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile has a molecular weight of 335.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 31536803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).