2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

C21H29N3O3 — CID 70712887

IUPAC2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCCC2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C21H29N3O3/c1-16-4-2-5-19(26)23(16)13-9-18(25)22-12-3-10-21(14-22)11-8-20(27)24(15-21)17-6-7-17/h2,4-5,17H,3,6-15H2,1H3
InChIKeyZCZJQVVFOVBKCH-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.94
Rot. Bonds4

About 2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70712887) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70712887
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCCC2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C21H29N3O3/c1-16-4-2-5-19(26)23(16)13-9-18(25)22-12-3-10-21(14-22)11-8-20(27)24(15-21)17-6-7-17/h2,4-5,17H,3,6-15H2,1H3
InChIKeyZCZJQVVFOVBKCH-UHFFFAOYSA-N
XLogP1.94
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70712887) is 2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1cccc(=O)n1CCC(=O)N1CCCC2(CCC(=O)N(C3CC3)C2)C1.
What is the InChIKey of 2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZCZJQVVFOVBKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-16-4-2-5-19(26)23(16)13-9-18(25)22-12-3-10-21(14-22)11-8-20(27)24(15-21)17-6-7-17/h2,4-5,17H,3,6-15H2,1H3.
What are the key properties of 2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.48 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70712887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).