5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide

C17H23N3O4 — CID 139007743

IUPAC5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C(=O)N2CC(C)(C)OC3(CCOC3)C2)cn1
InChIInChI=1S/C17H23N3O4/c1-16(2)9-20(10-17(24-16)6-7-23-11-17)15(22)12-4-5-13(19-8-12)14(21)18-3/h4-5,8H,6-7,9-11H2,1-3H3,(H,18,21)
InChIKeyQNGKCNLZOXNRLB-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.85
Rot. Bonds2

About 5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide

5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide (PubChem CID 139007743) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide
PubChem CID139007743
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C(=O)N2CC(C)(C)OC3(CCOC3)C2)cn1
InChIInChI=1S/C17H23N3O4/c1-16(2)9-20(10-17(24-16)6-7-23-11-17)15(22)12-4-5-13(19-8-12)14(21)18-3/h4-5,8H,6-7,9-11H2,1-3H3,(H,18,21)
InChIKeyQNGKCNLZOXNRLB-UHFFFAOYSA-N
XLogP0.85
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 139004659
(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-methyl-4-pyrazol-1-ylphenyl)methanone
CID 128861623
(6-hydrazinyl-3-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745686
2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 120521387
[5-(methylamino)-2-pyridinyl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745621
5-[2,2-bis(hydroxymethyl)azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide
CID 167937775
(2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 128575376
N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride
CID 120996292
[(6R)-2,2-dimethyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
CID 129348560
[(6S)-2,2-dimethyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129349515
2-N,5-N-dimethyl-5-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2,5-dicarboxamide
CID 146084949
(6-chloro-3-pyridinyl)-(3,3-dimethylazetidin-1-yl)methanone
CID 131069080

Frequently Asked Questions

What is the IUPAC name of 5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide (CID 139007743) is 5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(C(=O)N2CC(C)(C)OC3(CCOC3)C2)cn1.
What is the InChIKey of 5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide?
The InChIKey is QNGKCNLZOXNRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-16(2)9-20(10-17(24-16)6-7-23-11-17)15(22)12-4-5-13(19-8-12)14(21)18-3/h4-5,8H,6-7,9-11H2,1-3H3,(H,18,21).
What are the key properties of 5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide?
5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 139007743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).