N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide

C23H28N4O2 — CID 110129742

IUPACN-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H]2CN(Cc3ccccn3)C[C@]23CCCCC(=O)N3)c1
InChIInChI=1S/C23H28N4O2/c1-17(28)25-19-9-6-7-18(13-19)21-15-27(14-20-8-3-5-12-24-20)16-23(21)11-4-2-10-22(29)26-23/h3,5-9,12-13,21H,2,4,10-11,14-16H2,1H3,(H,25,28)(H,26,29)/t21-,23+/m0/s1
InChIKeyATQZFGODXBEBFR-JTHBVZDNSA-N
MW392.50 g/mol
LogP3.07
Rot. Bonds4

About N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide

N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide (PubChem CID 110129742) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide
PubChem CID110129742
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H]2CN(Cc3ccccn3)C[C@]23CCCCC(=O)N3)c1
InChIInChI=1S/C23H28N4O2/c1-17(28)25-19-9-6-7-18(13-19)21-15-27(14-20-8-3-5-12-24-20)16-23(21)11-4-2-10-22(29)26-23/h3,5-9,12-13,21H,2,4,10-11,14-16H2,1H3,(H,25,28)(H,26,29)/t21-,23+/m0/s1
InChIKeyATQZFGODXBEBFR-JTHBVZDNSA-N
XLogP3.07
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide (CID 110129742) is N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide is CC(=O)Nc1cccc([C@@H]2CN(Cc3ccccn3)C[C@]23CCCCC(=O)N3)c1.
What is the InChIKey of N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide?
The InChIKey is ATQZFGODXBEBFR-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17(28)25-19-9-6-7-18(13-19)21-15-27(14-20-8-3-5-12-24-20)16-23(21)11-4-2-10-22(29)26-23/h3,5-9,12-13,21H,2,4,10-11,14-16H2,1H3,(H,25,28)(H,26,29)/t21-,23+/m0/s1.
What are the key properties of N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide?
N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide is sourced from PubChem (CID 110129742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).