2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide

C20H27ClN4O2 — CID 166595862

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide
SMILESCc1nc(N2CCC3(CC2)CC3)c(C(=O)NC2CCNC(=O)C2)c(C)c1Cl
InChIInChI=1S/C20H27ClN4O2/c1-12-16(19(27)24-14-3-8-22-15(26)11-14)18(23-13(2)17(12)21)25-9-6-20(4-5-20)7-10-25/h14H,3-11H2,1-2H3,(H,22,26)(H,24,27)
InChIKeyJUHMGUAAIBOFFJ-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.74
Rot. Bonds3

About 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 166595862) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide
PubChem CID166595862
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide
SMILESCc1nc(N2CCC3(CC2)CC3)c(C(=O)NC2CCNC(=O)C2)c(C)c1Cl
InChIInChI=1S/C20H27ClN4O2/c1-12-16(19(27)24-14-3-8-22-15(26)11-14)18(23-13(2)17(12)21)25-9-6-20(4-5-20)7-10-25/h14H,3-11H2,1-2H3,(H,22,26)(H,24,27)
InChIKeyJUHMGUAAIBOFFJ-UHFFFAOYSA-N
XLogP2.74
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide (CID 166595862) is 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide is Cc1nc(N2CCC3(CC2)CC3)c(C(=O)NC2CCNC(=O)C2)c(C)c1Cl.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is JUHMGUAAIBOFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O2/c1-12-16(19(27)24-14-3-8-22-15(26)11-14)18(23-13(2)17(12)21)25-9-6-20(4-5-20)7-10-25/h14H,3-11H2,1-2H3,(H,22,26)(H,24,27).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 390.92 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 166595862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).