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

C18H25N3O4 — CID 109088600

IUPACN-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccnc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C18H25N3O4/c1-17(2,3)20-15(22)13-4-7-19-14(12-13)16(23)21-8-5-18(6-9-21)24-10-11-25-18/h4,7,12H,5-6,8-11H2,1-3H3,(H,20,22)
InChIKeyICGCWQCEJORNFD-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.59
Rot. Bonds2

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

N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide (PubChem CID 109088600) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
PubChem CID109088600
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccnc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C18H25N3O4/c1-17(2,3)20-15(22)13-4-7-19-14(12-13)16(23)21-8-5-18(6-9-21)24-10-11-25-18/h4,7,12H,5-6,8-11H2,1-3H3,(H,20,22)
InChIKeyICGCWQCEJORNFD-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

N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109088616
N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109083433
N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109098849
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084555
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109088728
4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109084662
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109088575
ethyl 4-[4-(tert-butylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109088681
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylpyridine-4-carboxamide
CID 109088607
1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109215644
N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080380
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109088568

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide (CID 109088600) is N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide is CC(C)(C)NC(=O)c1ccnc(C(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide?
The InChIKey is ICGCWQCEJORNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-17(2,3)20-15(22)13-4-7-19-14(12-13)16(23)21-8-5-18(6-9-21)24-10-11-25-18/h4,7,12H,5-6,8-11H2,1-3H3,(H,20,22).
What are the key properties of N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide?
N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-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-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109088600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).