N-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide

C18H27N5O3 — CID 97279781

IUPACN-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
SMILESCN1C[C@@H](CN(C)C(=O)Cn2ncc(N3CCCCC3)cc2=O)CC1=O
InChIInChI=1S/C18H27N5O3/c1-20-11-14(8-16(20)24)12-21(2)18(26)13-23-17(25)9-15(10-19-23)22-6-4-3-5-7-22/h9-10,14H,3-8,11-13H2,1-2H3/t14-/m0/s1
InChIKeyVKHFUZWUWPSXPS-AWEZNQCLSA-N
MW361.45 g/mol
LogP0.17
Rot. Bonds5

About N-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide

N-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide (PubChem CID 97279781) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
PubChem CID97279781
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
SMILESCN1C[C@@H](CN(C)C(=O)Cn2ncc(N3CCCCC3)cc2=O)CC1=O
InChIInChI=1S/C18H27N5O3/c1-20-11-14(8-16(20)24)12-21(2)18(26)13-23-17(25)9-15(10-19-23)22-6-4-3-5-7-22/h9-10,14H,3-8,11-13H2,1-2H3/t14-/m0/s1
InChIKeyVKHFUZWUWPSXPS-AWEZNQCLSA-N
XLogP0.17
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide (CID 97279781) is N-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide is CN1C[C@@H](CN(C)C(=O)Cn2ncc(N3CCCCC3)cc2=O)CC1=O.
What is the InChIKey of N-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is VKHFUZWUWPSXPS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-20-11-14(8-16(20)24)12-21(2)18(26)13-23-17(25)9-15(10-19-23)22-6-4-3-5-7-22/h9-10,14H,3-8,11-13H2,1-2H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
N-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 97279781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).