5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide

C16H23N3O3 — CID 109223215

IUPAC5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cncc(N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C16H23N3O3/c1-12(2)18-15(20)13-9-14(11-17-10-13)19-5-3-16(4-6-19)21-7-8-22-16/h9-12H,3-8H2,1-2H3,(H,18,20)
InChIKeyGTOQXWAHYOGFMY-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.56
Rot. Bonds3

About 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109223215) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109223215
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cncc(N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C16H23N3O3/c1-12(2)18-15(20)13-9-14(11-17-10-13)19-5-3-16(4-6-19)21-7-8-22-16/h9-12H,3-8H2,1-2H3,(H,18,20)
InChIKeyGTOQXWAHYOGFMY-UHFFFAOYSA-N
XLogP1.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide (CID 109223215) is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cncc(N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is GTOQXWAHYOGFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(2)18-15(20)13-9-14(11-17-10-13)19-5-3-16(4-6-19)21-7-8-22-16/h9-12H,3-8H2,1-2H3,(H,18,20).
What are the key properties of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide?
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109223215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).