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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).