N-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide

C20H30N4O4 — CID 109076602

IUPACN-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1nc(C(=O)N2CCC3(CC2)OCCO3)c2n1CCCC2
InChIInChI=1S/C20H30N4O4/c1-19(2,3)22-17(25)16-21-15(14-6-4-5-9-24(14)16)18(26)23-10-7-20(8-11-23)27-12-13-28-20/h4-13H2,1-3H3,(H,22,25)
InChIKeyMNQAUFHSVHSFOR-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.73
Rot. Bonds2

About N-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide

N-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 109076602) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID109076602
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1nc(C(=O)N2CCC3(CC2)OCCO3)c2n1CCCC2
InChIInChI=1S/C20H30N4O4/c1-19(2,3)22-17(25)16-21-15(14-6-4-5-9-24(14)16)18(26)23-10-7-20(8-11-23)27-12-13-28-20/h4-13H2,1-3H3,(H,22,25)
InChIKeyMNQAUFHSVHSFOR-UHFFFAOYSA-N
XLogP1.73
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (CID 109076602) is N-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is CC(C)(C)NC(=O)c1nc(C(=O)N2CCC3(CC2)OCCO3)c2n1CCCC2.
What is the InChIKey of N-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is MNQAUFHSVHSFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-19(2,3)22-17(25)16-21-15(14-6-4-5-9-24(14)16)18(26)23-10-7-20(8-11-23)27-12-13-28-20/h4-13H2,1-3H3,(H,22,25).
What are the key properties of N-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
N-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 109076602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).