5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid

C22H25N3O3 — CID 166254868

IUPAC5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(=O)N2CCC3(CCCN(Cc4ccccc4)C3)C2)c1
InChIInChI=1S/C22H25N3O3/c26-20(18-11-19(21(27)28)13-23-12-18)25-10-8-22(16-25)7-4-9-24(15-22)14-17-5-2-1-3-6-17/h1-3,5-6,11-13H,4,7-10,14-16H2,(H,27,28)
InChIKeyNEQPAYRIEKERMW-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.91
Rot. Bonds4

About 5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid

5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid (PubChem CID 166254868) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
PubChem CID166254868
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(=O)N2CCC3(CCCN(Cc4ccccc4)C3)C2)c1
InChIInChI=1S/C22H25N3O3/c26-20(18-11-19(21(27)28)13-23-12-18)25-10-8-22(16-25)7-4-9-24(15-22)14-17-5-2-1-3-6-17/h1-3,5-6,11-13H,4,7-10,14-16H2,(H,27,28)
InChIKeyNEQPAYRIEKERMW-UHFFFAOYSA-N
XLogP2.91
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
pyridin-3-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone;tris(2,2,2-trifluoroacetic acid)
CID 171672638
[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131661981
5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide
CID 164631595
5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one
CID 138998945
[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
CID 45200874
pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45195685
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
CID 138035435

Frequently Asked Questions

What is the IUPAC name of 5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid (CID 166254868) is 5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid is O=C(O)c1cncc(C(=O)N2CCC3(CCCN(Cc4ccccc4)C3)C2)c1.
What is the InChIKey of 5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is NEQPAYRIEKERMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-20(18-11-19(21(27)28)13-23-12-18)25-10-8-22(16-25)7-4-9-24(15-22)14-17-5-2-1-3-6-17/h1-3,5-6,11-13H,4,7-10,14-16H2,(H,27,28).
What are the key properties of 5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid?
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 379.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 166254868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).