2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide

C17H24N4O3 — CID 95726725

IUPAC2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN1C[C@]2(CCCN(CC(=O)NCc3ccccn3)CC2)OC1=O
InChIInChI=1S/C17H24N4O3/c1-20-13-17(24-16(20)23)6-4-9-21(10-7-17)12-15(22)19-11-14-5-2-3-8-18-14/h2-3,5,8H,4,6-7,9-13H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyINJKDKXEFKQMRZ-QGZVFWFLSA-N
MW332.40 g/mol
LogP1.00
Rot. Bonds4

About 2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 95726725) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID95726725
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN1C[C@]2(CCCN(CC(=O)NCc3ccccn3)CC2)OC1=O
InChIInChI=1S/C17H24N4O3/c1-20-13-17(24-16(20)23)6-4-9-21(10-7-17)12-15(22)19-11-14-5-2-3-8-18-14/h2-3,5,8H,4,6-7,9-13H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyINJKDKXEFKQMRZ-QGZVFWFLSA-N
XLogP1.00
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5S)-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95715417
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide
CID 70714919
2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
3-methyl-9-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 74239736
(5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717355
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714045
(5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 126432480
3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 97275577
2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95311404
2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 72894294

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 95726725) is 2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide is CN1C[C@]2(CCCN(CC(=O)NCc3ccccn3)CC2)OC1=O.
What is the InChIKey of 2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is INJKDKXEFKQMRZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-20-13-17(24-16(20)23)6-4-9-21(10-7-17)12-15(22)19-11-14-5-2-3-8-18-14/h2-3,5,8H,4,6-7,9-13H2,1H3,(H,19,22)/t17-/m1/s1.
What are the key properties of 2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 95726725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).