2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

C19H27N3O3 — CID 72862022

IUPAC2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(C(=O)c3cc(CC)[nH]c(=O)c3)C2)C1=O
InChIInChI=1S/C19H27N3O3/c1-3-8-21-9-5-6-19(18(21)25)7-10-22(13-19)17(24)14-11-15(4-2)20-16(23)12-14/h11-12H,3-10,13H2,1-2H3,(H,20,23)
InChIKeyLUNNNRDIOYLVKS-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.80
Rot. Bonds4

About 2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72862022) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72862022
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(C(=O)c3cc(CC)[nH]c(=O)c3)C2)C1=O
InChIInChI=1S/C19H27N3O3/c1-3-8-21-9-5-6-19(18(21)25)7-10-22(13-19)17(24)14-11-15(4-2)20-16(23)12-14/h11-12H,3-10,13H2,1-2H3,(H,20,23)
InChIKeyLUNNNRDIOYLVKS-UHFFFAOYSA-N
XLogP1.80
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one (CID 72862022) is 2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCCC2(CCN(C(=O)c3cc(CC)[nH]c(=O)c3)C2)C1=O.
What is the InChIKey of 2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LUNNNRDIOYLVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-8-21-9-5-6-19(18(21)25)7-10-22(13-19)17(24)14-11-15(4-2)20-16(23)12-14/h11-12H,3-10,13H2,1-2H3,(H,20,23).
What are the key properties of 2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 345.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72862022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).