1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C17H24N6O2 — CID 53203850

IUPAC1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C17H24N6O2/c1-11-15(12(2)22(3)21-11)9-18-17(25)13-5-4-6-23(10-13)14-7-16(24)20-19-8-14/h7-8,13H,4-6,9-10H2,1-3H3,(H,18,25)(H,20,24)
InChIKeyLGSJFJOXLPCSSQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.65
Rot. Bonds4

About 1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 53203850) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID53203850
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C17H24N6O2/c1-11-15(12(2)22(3)21-11)9-18-17(25)13-5-4-6-23(10-13)14-7-16(24)20-19-8-14/h7-8,13H,4-6,9-10H2,1-3H3,(H,18,25)(H,20,24)
InChIKeyLGSJFJOXLPCSSQ-UHFFFAOYSA-N
XLogP0.65
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24817602
N~3~-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-piperidinedicarboxamide
CID 70749819
1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 70759029
1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553
1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72880570
N~3~-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide
CID 72899714
N~3~-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide
CID 72920322
1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 72880259
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202069
1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 53202216
1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 53202217
N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide
CID 53203851

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 53203850) is 1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is Cc1nn(C)c(C)c1CNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is LGSJFJOXLPCSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11-15(12(2)22(3)21-11)9-18-17(25)13-5-4-6-23(10-13)14-7-16(24)20-19-8-14/h7-8,13H,4-6,9-10H2,1-3H3,(H,18,25)(H,20,24).
What are the key properties of 1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53203850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).