6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C19H22N6O2 — CID 47067765

IUPAC6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCCCCn1nc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1=O
InChIInChI=1S/C19H22N6O2/c1-2-3-8-25-18(26)7-5-16(22-25)19(27)24-11-9-23(10-12-24)17-6-4-15(13-20)14-21-17/h4-7,14H,2-3,8-12H2,1H3
InChIKeyJCUMEXJWDWRMCI-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.27
Rot. Bonds5

About 6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 47067765) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID47067765
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCCCCn1nc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1=O
InChIInChI=1S/C19H22N6O2/c1-2-3-8-25-18(26)7-5-16(22-25)19(27)24-11-9-23(10-12-24)17-6-4-15(13-20)14-21-17/h4-7,14H,2-3,8-12H2,1H3
InChIKeyJCUMEXJWDWRMCI-UHFFFAOYSA-N
XLogP1.27
TPSA95.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 47067765) is 6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is CCCCn1nc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1=O.
What is the InChIKey of 6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is JCUMEXJWDWRMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-2-3-8-25-18(26)7-5-16(22-25)19(27)24-11-9-23(10-12-24)17-6-4-15(13-20)14-21-17/h4-7,14H,2-3,8-12H2,1H3.
What are the key properties of 6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 366.43 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 47067765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).