N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

C17H24N6O2 — CID 53202069

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H24N6O2/c1-11(15-10-22(3)21-12(15)2)19-17(25)13-4-6-23(7-5-13)14-8-16(24)20-18-9-14/h8-11,13H,4-7H2,1-3H3,(H,19,25)(H,20,24)
InChIKeyOWYDPFFTGYASCU-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.91
Rot. Bonds4

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202069) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202069
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H24N6O2/c1-11(15-10-22(3)21-12(15)2)19-17(25)13-4-6-23(7-5-13)14-8-16(24)20-18-9-14/h8-11,13H,4-7H2,1-3H3,(H,19,25)(H,20,24)
InChIKeyOWYDPFFTGYASCU-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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-[(1,3-Dimethyl-1H-pyrazol-4-YL)methyl]-N-methyl-1-(6-oxo-1-propyl-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202222
1-(6-oxo-1,6-dihydropyridazin-4-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 53203850
N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide
CID 53203851
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203994
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 96006651
1,5-dimethyl-N-{[1-(3-methylbut-2-en-1-yl)piperidin-4-yl]methyl}-1H-pyrazole-4-carboxamide
CID 131901108
2-(1,5-dimethylpyrazol-4-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
CID 137974977
1-acetyl-N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide
CID 56742151
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 126467023
3-methyl-N-({1-[(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)carbonyl]piperidin-4-yl}methyl)-1-propyl-1H-pyrazole-4-carboxamide
CID 131930728

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (CID 53202069) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is Cc1nn(C)cc1C(C)NC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is OWYDPFFTGYASCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11(15-10-22(3)21-12(15)2)19-17(25)13-4-6-23(7-5-13)14-8-16(24)20-18-9-14/h8-11,13H,4-7H2,1-3H3,(H,19,25)(H,20,24).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).