N-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

C15H24N4O2 — CID 53203986

IUPACN-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H24N4O2/c1-3-4-7-16-15(21)12-6-5-8-19(11-12)13-9-14(20)18(2)17-10-13/h9-10,12H,3-8,11H2,1-2H3,(H,16,21)
InChIKeyBJGBKUJCTVKZAL-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.91
Rot. Bonds5

About N-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

N-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203986) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203986
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H24N4O2/c1-3-4-7-16-15(21)12-6-5-8-19(11-12)13-9-14(20)18(2)17-10-13/h9-10,12H,3-8,11H2,1-2H3,(H,16,21)
InChIKeyBJGBKUJCTVKZAL-UHFFFAOYSA-N
XLogP0.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (CID 53203986) is N-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of N-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is BJGBKUJCTVKZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-4-7-16-15(21)12-6-5-8-19(11-12)13-9-14(20)18(2)17-10-13/h9-10,12H,3-8,11H2,1-2H3,(H,16,21).
What are the key properties of N-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
N-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).