N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide

C17H22ClN3O2 — CID 128882243

IUPACN-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)N1CC2(CCC2)C1C1CCOCC1
InChIInChI=1S/C17H22ClN3O2/c18-13-2-3-14(19-10-13)20-16(22)21-11-17(6-1-7-17)15(21)12-4-8-23-9-5-12/h2-3,10,12,15H,1,4-9,11H2,(H,19,20,22)
InChIKeySKJFZOQMDXDJQD-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.55
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide (PubChem CID 128882243) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
PubChem CID128882243
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC NameN-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)N1CC2(CCC2)C1C1CCOCC1
InChIInChI=1S/C17H22ClN3O2/c18-13-2-3-14(19-10-13)20-16(22)21-11-17(6-1-7-17)15(21)12-4-8-23-9-5-12/h2-3,10,12,15H,1,4-9,11H2,(H,19,20,22)
InChIKeySKJFZOQMDXDJQD-UHFFFAOYSA-N
XLogP3.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide (CID 128882243) is N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide is O=C(Nc1ccc(Cl)cn1)N1CC2(CCC2)C1C1CCOCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
The InChIKey is SKJFZOQMDXDJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c18-13-2-3-14(19-10-13)20-16(22)21-11-17(6-1-7-17)15(21)12-4-8-23-9-5-12/h2-3,10,12,15H,1,4-9,11H2,(H,19,20,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide has a molecular weight of 335.84 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 128882243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).