N-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide

C15H19N3O3 — CID 166399549

IUPACN-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide
SMILESNc1ccc(NC(=O)C23CC(CO)(C2)OC32CCC2)cn1
InChIInChI=1S/C15H19N3O3/c16-11-3-2-10(6-17-11)18-12(20)14-7-13(8-14,9-19)21-15(14)4-1-5-15/h2-3,6,19H,1,4-5,7-9H2,(H2,16,17)(H,18,20)
InChIKeyUKHVQVZOPBRYOJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.07
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide

N-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide (PubChem CID 166399549) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide
PubChem CID166399549
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide
SMILESNc1ccc(NC(=O)C23CC(CO)(C2)OC32CCC2)cn1
InChIInChI=1S/C15H19N3O3/c16-11-3-2-10(6-17-11)18-12(20)14-7-13(8-14,9-19)21-15(14)4-1-5-15/h2-3,6,19H,1,4-5,7-9H2,(H2,16,17)(H,18,20)
InChIKeyUKHVQVZOPBRYOJ-UHFFFAOYSA-N
XLogP1.07
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide with MolForge

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Related Compounds

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CID 119515764
N-(6-amino-3-pyridinyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119515973
N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
CID 119515328
N-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 119515163
N-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119516222
N-(6-amino-3-pyridinyl)-2-cyclopropylacetamide
CID 62901685
N-(6-amino-3-pyridinyl)-2-cyclopentylacetamide;hydrochloride
CID 119260450
N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 70937866
1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea
CID 62901081
N-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119515549
1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea
CID 107654059
N-(6-amino-3-pyridinyl)-3-cyclopropylpropanamide
CID 119515078

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide (CID 166399549) is N-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide is Nc1ccc(NC(=O)C23CC(CO)(C2)OC32CCC2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide?
The InChIKey is UKHVQVZOPBRYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-11-3-2-10(6-17-11)18-12(20)14-7-13(8-14,9-19)21-15(14)4-1-5-15/h2-3,6,19H,1,4-5,7-9H2,(H2,16,17)(H,18,20).
What are the key properties of N-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide?
N-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-1-(hydroxymethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxamide is sourced from PubChem (CID 166399549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).