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

C17H25N3O — CID 98896192

IUPAC(5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)[C@H]1CCC[C@]12CCN(Cc1ncccc1C)C2
InChIInChI=1S/C17H25N3O/c1-13-5-4-9-19-15(13)11-20-10-8-17(12-20)7-3-6-14(17)16(21)18-2/h4-5,9,14H,3,6-8,10-12H2,1-2H3,(H,18,21)/t14-,17-/m1/s1
InChIKeyLTDMHYXTONCYPG-RHSMWYFYSA-N
MW287.41 g/mol
LogP2.13
Rot. Bonds3

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

(5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 98896192) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name(5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID98896192
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)[C@H]1CCC[C@]12CCN(Cc1ncccc1C)C2
InChIInChI=1S/C17H25N3O/c1-13-5-4-9-19-15(13)11-20-10-8-17(12-20)7-3-6-14(17)16(21)18-2/h4-5,9,14H,3,6-8,10-12H2,1-2H3,(H,18,21)/t14-,17-/m1/s1
InChIKeyLTDMHYXTONCYPG-RHSMWYFYSA-N
XLogP2.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895982
N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 131663959
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 131643082
(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896026
1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide
CID 110107506
(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895593
methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 112550259
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
CID 98897720
2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 131642758
[4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone
CID 155873458
(5S,9S)-2-(furan-2-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896788

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of (5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide (CID 98896192) is (5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for (5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for (5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide is CNC(=O)[C@H]1CCC[C@]12CCN(Cc1ncccc1C)C2.
What is the InChIKey of (5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is LTDMHYXTONCYPG-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-5-4-9-19-15(13)11-20-10-8-17(12-20)7-3-6-14(17)16(21)18-2/h4-5,9,14H,3,6-8,10-12H2,1-2H3,(H,18,21)/t14-,17-/m1/s1.
What are the key properties of (5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide?
(5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.13, 3 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-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 98896192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).