2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

C14H17N3O3 — CID 166306717

IUPAC2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCc1cc(C)nc(C(=O)N2CC3(CNC(=O)CO3)C2)c1
InChIInChI=1S/C14H17N3O3/c1-9-3-10(2)16-11(4-9)13(19)17-7-14(8-17)6-15-12(18)5-20-14/h3-4H,5-8H2,1-2H3,(H,15,18)
InChIKeyHABYRVLZNKKFBV-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.04
Rot. Bonds1

About 2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (PubChem CID 166306717) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
PubChem CID166306717
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCc1cc(C)nc(C(=O)N2CC3(CNC(=O)CO3)C2)c1
InChIInChI=1S/C14H17N3O3/c1-9-3-10(2)16-11(4-9)13(19)17-7-14(8-17)6-15-12(18)5-20-14/h3-4H,5-8H2,1-2H3,(H,15,18)
InChIKeyHABYRVLZNKKFBV-UHFFFAOYSA-N
XLogP0.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 139598609
(5R)-9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99928590
9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77080948
(4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 114269672
9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162638587
2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 139598472
9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162629408
9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131686408
[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone
CID 154802217
9-(5-methoxy-1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162634902
[4-(1-chloroethyl)piperidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone
CID 114269696
9-(pyridine-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155838295

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The IUPAC name of 2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (CID 166306717) is 2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.
What is the SMILES notation for 2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The canonical SMILES for 2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is Cc1cc(C)nc(C(=O)N2CC3(CNC(=O)CO3)C2)c1.
What is the InChIKey of 2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The InChIKey is HABYRVLZNKKFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-3-10(2)16-11(4-9)13(19)17-7-14(8-17)6-15-12(18)5-20-14/h3-4H,5-8H2,1-2H3,(H,15,18).
What are the key properties of 2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one has a molecular weight of 275.31 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is sourced from PubChem (CID 166306717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).