1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one

C23H29N3O2 — CID 72876695

IUPAC1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one
SMILESCN1CC(c2ccccc2)CC2(CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1
InChIInChI=1S/C23H29N3O2/c1-24-15-20(18-6-4-3-5-7-18)14-23(17-24)10-12-26(13-11-23)22(28)19-8-9-21(27)25(2)16-19/h3-9,16,20H,10-15,17H2,1-2H3
InChIKeyFXGKSQNYTVNTIT-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.73
Rot. Bonds2

About 1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one

1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one (PubChem CID 72876695) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one
PubChem CID72876695
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one
SMILESCN1CC(c2ccccc2)CC2(CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1
InChIInChI=1S/C23H29N3O2/c1-24-15-20(18-6-4-3-5-7-18)14-23(17-24)10-12-26(13-11-23)22(28)19-8-9-21(27)25(2)16-19/h3-9,16,20H,10-15,17H2,1-2H3
InChIKeyFXGKSQNYTVNTIT-UHFFFAOYSA-N
XLogP2.73
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one?
The IUPAC name of 1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one (CID 72876695) is 1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one is CN1CC(c2ccccc2)CC2(CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1.
What is the InChIKey of 1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one?
The InChIKey is FXGKSQNYTVNTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-24-15-20(18-6-4-3-5-7-18)14-23(17-24)10-12-26(13-11-23)22(28)19-8-9-21(27)25(2)16-19/h3-9,16,20H,10-15,17H2,1-2H3.
What are the key properties of 1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one?
1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one has a molecular weight of 379.50 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)pyridin-2-one is sourced from PubChem (CID 72876695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).