(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide

C17H23N3O2 — CID 98895593

IUPAC(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cnccc1C)C2
InChIInChI=1S/C17H23N3O2/c1-12-5-8-19-10-13(12)16(22)20-9-7-17(11-20)6-3-4-14(17)15(21)18-2/h5,8,10,14H,3-4,6-7,9,11H2,1-2H3,(H,18,21)/t14-,17-/m1/s1
InChIKeyRJLHUQPOVBXWDO-RHSMWYFYSA-N
MW301.39 g/mol
LogP1.77
Rot. Bonds2

About (5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide

(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 98895593) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID98895593
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cnccc1C)C2
InChIInChI=1S/C17H23N3O2/c1-12-5-8-19-10-13(12)16(22)20-9-7-17(11-20)6-3-4-14(17)15(21)18-2/h5,8,10,14H,3-4,6-7,9,11H2,1-2H3,(H,18,21)/t14-,17-/m1/s1
InChIKeyRJLHUQPOVBXWDO-RHSMWYFYSA-N
XLogP1.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-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

(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896026
(5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896792
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone
CID 110197948
(5S,9S)-2-(furan-2-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896788
(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895982
N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide
CID 164631317
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 120819643
N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897132
(5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896192
(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119401446
N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 131663959

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of (5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide (CID 98895593) is (5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for (5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for (5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide is CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cnccc1C)C2.
What is the InChIKey of (5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is RJLHUQPOVBXWDO-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-5-8-19-10-13(12)16(22)20-9-7-17(11-20)6-3-4-14(17)15(21)18-2/h5,8,10,14H,3-4,6-7,9,11H2,1-2H3,(H,18,21)/t14-,17-/m1/s1.
What are the key properties of (5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 98895593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).