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

C16H21N3O2 — CID 98896026

IUPAC(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1ccncc1)C2
InChIInChI=1S/C16H21N3O2/c1-17-14(20)13-3-2-6-16(13)7-10-19(11-16)15(21)12-4-8-18-9-5-12/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,17,20)/t13-,16+/m1/s1
InChIKeyAWBBKVOVJTXQQL-CJNGLKHVSA-N
MW287.36 g/mol
LogP1.46
Rot. Bonds2

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

(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 98896026) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID98896026
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1ccncc1)C2
InChIInChI=1S/C16H21N3O2/c1-17-14(20)13-3-2-6-16(13)7-10-19(11-16)15(21)12-4-8-18-9-5-12/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,17,20)/t13-,16+/m1/s1
InChIKeyAWBBKVOVJTXQQL-CJNGLKHVSA-N
XLogP1.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895593
(5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896792
(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895982
(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
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 124872122
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
(5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 155875455
(2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492507
(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

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of (5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide (CID 98896026) is (5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for (5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for (5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide is CNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1ccncc1)C2.
What is the InChIKey of (5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is AWBBKVOVJTXQQL-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-17-14(20)13-3-2-6-16(13)7-10-19(11-16)15(21)12-4-8-18-9-5-12/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,17,20)/t13-,16+/m1/s1.
What are the key properties of (5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 98896026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).