N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide

C18H25N3O4 — CID 109098849

IUPACN-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C18H25N3O4/c1-17(2,3)20-15(22)13-5-4-6-14(19-13)16(23)21-9-7-18(8-10-21)24-11-12-25-18/h4-6H,7-12H2,1-3H3,(H,20,22)
InChIKeyOCCCCYKNIXNTLD-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.59
Rot. Bonds2

About N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide

N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide (PubChem CID 109098849) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
PubChem CID109098849
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C18H25N3O4/c1-17(2,3)20-15(22)13-5-4-6-14(19-13)16(23)21-9-7-18(8-10-21)24-11-12-25-18/h4-6H,7-12H2,1-3H3,(H,20,22)
InChIKeyOCCCCYKNIXNTLD-UHFFFAOYSA-N
XLogP1.59
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
N-tert-butyl-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096027
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109096677
N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109088600
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109098874
N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109098880
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
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
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone
CID 57299286
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
CID 110691585
[6-(4-tert-butylanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123607
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone
CID 109118019

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide (CID 109098849) is N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide is CC(C)(C)NC(=O)c1cccc(C(=O)N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide?
The InChIKey is OCCCCYKNIXNTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-17(2,3)20-15(22)13-5-4-6-14(19-13)16(23)21-9-7-18(8-10-21)24-11-12-25-18/h4-6H,7-12H2,1-3H3,(H,20,22).
What are the key properties of N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide?
N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109098849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).