(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide

C16H23N3O — CID 98895982

IUPAC(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)[C@@H]1CCC[C@]12CCN(Cc1ccncc1)C2
InChIInChI=1S/C16H23N3O/c1-17-15(20)14-3-2-6-16(14)7-10-19(12-16)11-13-4-8-18-9-5-13/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,17,20)/t14-,16+/m0/s1
InChIKeyCJJZFCXGSMEJIR-GOEBONIOSA-N
MW273.38 g/mol
LogP1.82
Rot. Bonds3

About (5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide

(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 98895982) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID98895982
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)[C@@H]1CCC[C@]12CCN(Cc1ccncc1)C2
InChIInChI=1S/C16H23N3O/c1-17-15(20)14-3-2-6-16(14)7-10-19(12-16)11-13-4-8-18-9-5-13/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,17,20)/t14-,16+/m0/s1
InChIKeyCJJZFCXGSMEJIR-GOEBONIOSA-N
XLogP1.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,9S)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897364
(5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896192
N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 131663959
morpholin-4-yl-[2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 131697489
(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896026
(5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897341
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 131643082
(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895593
(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
CID 15517982
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989
morpholin-4-yl-[(5R,9R)-2-(pyridin-3-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 124787358
2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 131642758

Frequently Asked Questions

What is the IUPAC name of (5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of (5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide (CID 98895982) is (5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for (5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for (5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide is CNC(=O)[C@@H]1CCC[C@]12CCN(Cc1ccncc1)C2.
What is the InChIKey of (5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is CJJZFCXGSMEJIR-GOEBONIOSA-N. The full InChI is InChI=1S/C16H23N3O/c1-17-15(20)14-3-2-6-16(14)7-10-19(12-16)11-13-4-8-18-9-5-13/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,17,20)/t14-,16+/m0/s1.
What are the key properties of (5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide?
(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 98895982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).