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

C16H20FN3O2 — CID 98896792

IUPAC(5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cncc(F)c1)C2
InChIInChI=1S/C16H20FN3O2/c1-18-14(21)13-3-2-4-16(13)5-6-20(10-16)15(22)11-7-12(17)9-19-8-11/h7-9,13H,2-6,10H2,1H3,(H,18,21)/t13-,16-/m1/s1
InChIKeyGCTNOJLYSMPQHB-CZUORRHYSA-N
MW305.35 g/mol
LogP1.60
Rot. Bonds2

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

(5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 98896792) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is (5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name(5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID98896792
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name(5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cncc(F)c1)C2
InChIInChI=1S/C16H20FN3O2/c1-18-14(21)13-3-2-4-16(13)5-6-20(10-16)15(22)11-7-12(17)9-19-8-11/h7-9,13H,2-6,10H2,1H3,(H,18,21)/t13-,16-/m1/s1
InChIKeyGCTNOJLYSMPQHB-CZUORRHYSA-N
XLogP1.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896026
(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895593
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989
(5S,9S)-2-(furan-2-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896788
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 113452823
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
(5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 155875455
N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 91829899
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone
CID 113340544
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 104786148
(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895982

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of (5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide (CID 98896792) is (5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for (5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for (5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide is CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cncc(F)c1)C2.
What is the InChIKey of (5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is GCTNOJLYSMPQHB-CZUORRHYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-18-14(21)13-3-2-4-16(13)5-6-20(10-16)15(22)11-7-12(17)9-19-8-11/h7-9,13H,2-6,10H2,1H3,(H,18,21)/t13-,16-/m1/s1.
What are the key properties of (5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide?
(5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 98896792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).