[methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate

C15H19N3O3 — CID 164772616

IUPAC[methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate
SMILESCN(C(=O)OC(=O)N1CCC2(CC1)CC2)c1ccccn1
InChIInChI=1S/C15H19N3O3/c1-17(12-4-2-3-9-16-12)13(19)21-14(20)18-10-7-15(5-6-15)8-11-18/h2-4,9H,5-8,10-11H2,1H3
InChIKeyXHPHTGUVBLXNIT-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.65
Rot. Bonds1

About [methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate

[methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 164772616) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Name[methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate
PubChem CID164772616
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate
SMILESCN(C(=O)OC(=O)N1CCC2(CC1)CC2)c1ccccn1
InChIInChI=1S/C15H19N3O3/c1-17(12-4-2-3-9-16-12)13(19)21-14(20)18-10-7-15(5-6-15)8-11-18/h2-4,9H,5-8,10-11H2,1H3
InChIKeyXHPHTGUVBLXNIT-UHFFFAOYSA-N
XLogP2.65
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 116653994
2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-dicarboxamide
CID 101347293
4-hydroxy-N-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 115150798
2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616222
N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053
2,2-difluoro-N-methyl-N-pyridin-2-ylacetamide
CID 103515256
4-benzoyl-N-methyl-N-pyridin-2-ylbenzamide
CID 51051173
2-methoxy-N-methyl-N-pyridin-2-ylpropanamide
CID 115640276
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657
2-amino-N,2-dimethyl-N-pyridin-2-ylpropanamide
CID 61265385
2-(2-aminoethoxy)-N-methyl-N-pyridin-2-ylacetamide
CID 79463980
N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide
CID 60852882

Frequently Asked Questions

What is the IUPAC name of [methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of [methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate (CID 164772616) is [methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for [methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for [methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate is CN(C(=O)OC(=O)N1CCC2(CC1)CC2)c1ccccn1.
What is the InChIKey of [methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is XHPHTGUVBLXNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17(12-4-2-3-9-16-12)13(19)21-14(20)18-10-7-15(5-6-15)8-11-18/h2-4,9H,5-8,10-11H2,1H3.
What are the key properties of [methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate?
[methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(pyridin-2-yl)carbamoyl] 6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 164772616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).