7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C18H25N3O3 — CID 72855182

IUPAC7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1ccc(C(=O)N2CCC3(CCCN(C)C3=O)C2)c(=O)[nH]1
InChIInChI=1S/C18H25N3O3/c1-12(2)14-6-5-13(15(22)19-14)16(23)21-10-8-18(11-21)7-4-9-20(3)17(18)24/h5-6,12H,4,7-11H2,1-3H3,(H,19,22)
InChIKeySIWGJXRRNOIGIZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.58
Rot. Bonds2

About 7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72855182) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72855182
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1ccc(C(=O)N2CCC3(CCCN(C)C3=O)C2)c(=O)[nH]1
InChIInChI=1S/C18H25N3O3/c1-12(2)14-6-5-13(15(22)19-14)16(23)21-10-8-18(11-21)7-4-9-20(3)17(18)24/h5-6,12H,4,7-11H2,1-3H3,(H,19,22)
InChIKeySIWGJXRRNOIGIZ-UHFFFAOYSA-N
XLogP1.58
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72855182) is 7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)c1ccc(C(=O)N2CCC3(CCCN(C)C3=O)C2)c(=O)[nH]1.
What is the InChIKey of 7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SIWGJXRRNOIGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(2)14-6-5-13(15(22)19-14)16(23)21-10-8-18(11-21)7-4-9-20(3)17(18)24/h5-6,12H,4,7-11H2,1-3H3,(H,19,22).
What are the key properties of 7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 331.42 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72855182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).