N-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide

C16H24N4O3 — CID 97196598

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(N2CCCCC2)cc1=O)NC[C@@H]1CCCO1
InChIInChI=1S/C16H24N4O3/c21-15(17-11-14-5-4-8-23-14)12-20-16(22)9-13(10-18-20)19-6-2-1-3-7-19/h9-10,14H,1-8,11-12H2,(H,17,21)/t14-/m0/s1
InChIKeyCJLHMXGGTNRYPI-AWEZNQCLSA-N
MW320.39 g/mol
LogP0.53
Rot. Bonds5

About N-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide

N-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide (PubChem CID 97196598) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
PubChem CID97196598
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(N2CCCCC2)cc1=O)NC[C@@H]1CCCO1
InChIInChI=1S/C16H24N4O3/c21-15(17-11-14-5-4-8-23-14)12-20-16(22)9-13(10-18-20)19-6-2-1-3-7-19/h9-10,14H,1-8,11-12H2,(H,17,21)/t14-/m0/s1
InChIKeyCJLHMXGGTNRYPI-AWEZNQCLSA-N
XLogP0.53
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide (CID 97196598) is N-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide is O=C(Cn1ncc(N2CCCCC2)cc1=O)NC[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is CJLHMXGGTNRYPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-15(17-11-14-5-4-8-23-14)12-20-16(22)9-13(10-18-20)19-6-2-1-3-7-19/h9-10,14H,1-8,11-12H2,(H,17,21)/t14-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 97196598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).