N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

About N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 90601633) has the molecular formula C18H23N9O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name	N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID	90601633
Molecular Formula	C18H23N9O2
Molecular Weight	397.44 g/mol
Exact Mass	397.20
IUPAC Name	N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILES	Cc1noc(CCCNC(=O)C2CCN(c3ccc(-n4cncn4)nn3)CC2)n1
InChI	InChI=1S/C18H23N9O2/c1-13-22-17(29-25-13)3-2-8-20-18(28)14-6-9-26(10-7-14)15-4-5-16(24-23-15)27-12-19-11-21-27/h4-5,11-12,14H,2-3,6-10H2,1H3,(H,20,28)
InChIKey	PSQDIXOBMKYPAS-UHFFFAOYSA-N
XLogP	0.71
TPSA	127.75 Å²
H-Bond Donors	1
H-Bond Acceptors	10
Rotatable Bonds	7
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.44
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?

The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 90601633) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is Cc1noc(CCCNC(=O)C2CCN(c3ccc(-n4cncn4)nn3)CC2)n1.

What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?

The InChIKey is PSQDIXOBMKYPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N9O2/c1-13-22-17(29-25-13)3-2-8-20-18(28)14-6-9-26(10-7-14)15-4-5-16(24-23-15)27-12-19-11-21-27/h4-5,11-12,14H,2-3,6-10H2,1H3,(H,20,28).

What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90601633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).