9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C16H21N3O3 — CID 56907002

IUPAC9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C)c(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)cn1
InChIInChI=1S/C16H21N3O3/c1-11-7-12(2)17-8-13(11)14(20)19-6-4-5-16(10-19)9-18(3)15(21)22-16/h7-8H,4-6,9-10H2,1-3H3
InChIKeyPKFIPIVRTDVIFB-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.76
Rot. Bonds1

About 9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56907002) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56907002
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C)c(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)cn1
InChIInChI=1S/C16H21N3O3/c1-11-7-12(2)17-8-13(11)14(20)19-6-4-5-16(10-19)9-18(3)15(21)22-16/h7-8H,4-6,9-10H2,1-3H3
InChIKeyPKFIPIVRTDVIFB-UHFFFAOYSA-N
XLogP1.76
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-9-(4-methoxy-2-methylbenzoyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95723972
3-methyl-9-(5-methyl-1H-imidazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56919336
(5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95716535
(5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95728756
(5R)-3-methyl-9-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 126444687
(5R)-3-methyl-9-(4-pyrrolidin-1-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99976442
3-methyl-9-[4-(1H-pyrazol-5-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56889982
(5R)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95723889
3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56907295
3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911386
(5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99981305
3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56899532

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56907002) is 9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1cc(C)c(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)cn1.
What is the InChIKey of 9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is PKFIPIVRTDVIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-7-12(2)17-8-13(11)14(20)19-6-4-5-16(10-19)9-18(3)15(21)22-16/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of 9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 303.36 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56907002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).