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

C20H27N3O3 — CID 72856011

IUPAC7-(cyclopropylmethyl)-2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1cc(C(=O)N2CCC3(CCCN(CC4CC4)C3=O)C2)cc(=O)[nH]1
InChIInChI=1S/C20H27N3O3/c1-2-16-10-15(11-17(24)21-16)18(25)23-9-7-20(13-23)6-3-8-22(19(20)26)12-14-4-5-14/h10-11,14H,2-9,12-13H2,1H3,(H,21,24)
InChIKeyHRJXFPGQAUUHND-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.80
Rot. Bonds4

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

7-(cyclopropylmethyl)-2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72856011) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72856011
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name7-(cyclopropylmethyl)-2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1cc(C(=O)N2CCC3(CCCN(CC4CC4)C3=O)C2)cc(=O)[nH]1
InChIInChI=1S/C20H27N3O3/c1-2-16-10-15(11-17(24)21-16)18(25)23-9-7-20(13-23)6-3-8-22(19(20)26)12-14-4-5-14/h10-11,14H,2-9,12-13H2,1H3,(H,21,24)
InChIKeyHRJXFPGQAUUHND-UHFFFAOYSA-N
XLogP1.80
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72856011) is 7-(cyclopropylmethyl)-2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCc1cc(C(=O)N2CCC3(CCCN(CC4CC4)C3=O)C2)cc(=O)[nH]1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HRJXFPGQAUUHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-16-10-15(11-17(24)21-16)18(25)23-9-7-20(13-23)6-3-8-22(19(20)26)12-14-4-5-14/h10-11,14H,2-9,12-13H2,1H3,(H,21,24).
What are the key properties of 7-(cyclopropylmethyl)-2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclopropylmethyl)-2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 357.45 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 7-(cyclopropylmethyl)-2-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72856011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).