N-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide

C17H25N3O4 — CID 164697674

IUPACN-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(N2CCC3(CC2)OCC[C@H](O)[C@@H]3O)nc1
InChIInChI=1S/C17H25N3O4/c1-12(21)18-10-13-2-3-15(19-11-13)20-7-5-17(6-8-20)16(23)14(22)4-9-24-17/h2-3,11,14,16,22-23H,4-10H2,1H3,(H,18,21)/t14-,16-/m0/s1
InChIKeyHHWHHDGBXACYFV-HOCLYGCPSA-N
MW335.40 g/mol
LogP0.20
Rot. Bonds3

About N-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide

N-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide (PubChem CID 164697674) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide
PubChem CID164697674
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(N2CCC3(CC2)OCC[C@H](O)[C@@H]3O)nc1
InChIInChI=1S/C17H25N3O4/c1-12(21)18-10-13-2-3-15(19-11-13)20-7-5-17(6-8-20)16(23)14(22)4-9-24-17/h2-3,11,14,16,22-23H,4-10H2,1H3,(H,18,21)/t14-,16-/m0/s1
InChIKeyHHWHHDGBXACYFV-HOCLYGCPSA-N
XLogP0.20
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide (CID 164697674) is N-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide is CC(=O)NCc1ccc(N2CCC3(CC2)OCC[C@H](O)[C@@H]3O)nc1.
What is the InChIKey of N-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide?
The InChIKey is HHWHHDGBXACYFV-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12(21)18-10-13-2-3-15(19-11-13)20-7-5-17(6-8-20)16(23)14(22)4-9-24-17/h2-3,11,14,16,22-23H,4-10H2,1H3,(H,18,21)/t14-,16-/m0/s1.
What are the key properties of N-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide?
N-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 164697674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).