N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide

C21H25N3O2 — CID 124780353

IUPACN-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
SMILESO=C(N[C@H]1CCO[C@@]2(CCN(Cc3ccccn3)C2)C1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c25-20(17-6-2-1-3-7-17)23-18-9-13-26-21(14-18)10-12-24(16-21)15-19-8-4-5-11-22-19/h1-8,11,18H,9-10,12-16H2,(H,23,25)/t18-,21-/m0/s1
InChIKeyIMKQMTRBCVKPOF-RXVVDRJESA-N
MW351.45 g/mol
LogP2.64
Rot. Bonds4

About N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide

N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide (PubChem CID 124780353) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide.

Molecular Properties

Compound NameN-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
PubChem CID124780353
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
SMILESO=C(N[C@H]1CCO[C@@]2(CCN(Cc3ccccn3)C2)C1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c25-20(17-6-2-1-3-7-17)23-18-9-13-26-21(14-18)10-12-24(16-21)15-19-8-4-5-11-22-19/h1-8,11,18H,9-10,12-16H2,(H,23,25)/t18-,21-/m0/s1
InChIKeyIMKQMTRBCVKPOF-RXVVDRJESA-N
XLogP2.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97474442
1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
CID 124815429
N-[(5S,9S)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124822025
N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97477674
N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476036
N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 124780444
N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97475846
N-[(5R,9S)-2-(thiophen-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476031
1-methyl-N-[(5S,9S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
CID 124820308
N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155854554
4,9-bis(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171693125
N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 97477682

Frequently Asked Questions

What is the IUPAC name of N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide?
The IUPAC name of N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide (CID 124780353) is N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide.
What is the SMILES notation for N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide?
The canonical SMILES for N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide is O=C(N[C@H]1CCO[C@@]2(CCN(Cc3ccccn3)C2)C1)c1ccccc1.
What is the InChIKey of N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide?
The InChIKey is IMKQMTRBCVKPOF-RXVVDRJESA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(17-6-2-1-3-7-17)23-18-9-13-26-21(14-18)10-12-24(16-21)15-19-8-4-5-11-22-19/h1-8,11,18H,9-10,12-16H2,(H,23,25)/t18-,21-/m0/s1.
What are the key properties of N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide?
N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide is sourced from PubChem (CID 124780353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).