1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C17H24N4O3 — CID 72921830

IUPAC1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)Cn2ccccc2=O)CC12CCNC(=O)CC2
InChIInChI=1S/C17H24N4O3/c1-19-10-11-21(13-17(19)6-5-14(22)18-8-7-17)16(24)12-20-9-3-2-4-15(20)23/h2-4,9H,5-8,10-13H2,1H3,(H,18,22)
InChIKeyJKWMRQPAJYTQLG-UHFFFAOYSA-N
MW332.40 g/mol
LogP-0.34
Rot. Bonds2

About 1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72921830) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72921830
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)Cn2ccccc2=O)CC12CCNC(=O)CC2
InChIInChI=1S/C17H24N4O3/c1-19-10-11-21(13-17(19)6-5-14(22)18-8-7-17)16(24)12-20-9-3-2-4-15(20)23/h2-4,9H,5-8,10-13H2,1H3,(H,18,22)
InChIKeyJKWMRQPAJYTQLG-UHFFFAOYSA-N
XLogP-0.34
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72921830) is 1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)Cn2ccccc2=O)CC12CCNC(=O)CC2.
What is the InChIKey of 1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is JKWMRQPAJYTQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-19-10-11-21(13-17(19)6-5-14(22)18-8-7-17)16(24)12-20-9-3-2-4-15(20)23/h2-4,9H,5-8,10-13H2,1H3,(H,18,22).
What are the key properties of 1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 332.40 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-oxo-1-pyridinyl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72921830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).