6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid

C17H20N2O3 — CID 119185414

IUPAC6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N2CCCC3(CC=CCC3)C2)n1
InChIInChI=1S/C17H20N2O3/c20-15(13-6-4-7-14(18-13)16(21)22)19-11-5-10-17(12-19)8-2-1-3-9-17/h1-2,4,6-7H,3,5,8-12H2,(H,21,22)
InChIKeyVZTIVPWVJHMAQB-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.74
Rot. Bonds2

About 6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid

6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid (PubChem CID 119185414) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid
PubChem CID119185414
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N2CCCC3(CC=CCC3)C2)n1
InChIInChI=1S/C17H20N2O3/c20-15(13-6-4-7-14(18-13)16(21)22)19-11-5-10-17(12-19)8-2-1-3-9-17/h1-2,4,6-7H,3,5,8-12H2,(H,21,22)
InChIKeyVZTIVPWVJHMAQB-UHFFFAOYSA-N
XLogP2.74
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone
CID 127305942
1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(1-phenylpyrazol-3-yl)ethanone
CID 166216875
6-(1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 61402777
6-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)pyridine-2-carboxylic acid
CID 107457863
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 99992334
5-[(6S)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 129465623
6-(9-oxa-1-thia-4-azaspiro[5.5]undecane-4-carbonyl)pyridine-2-carboxylic acid
CID 120699168
[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone
CID 97215439
2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene
CID 133483282
6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119184625
azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
CID 84573821

Frequently Asked Questions

What is the IUPAC name of 6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid (CID 119185414) is 6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)N2CCCC3(CC=CCC3)C2)n1.
What is the InChIKey of 6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is VZTIVPWVJHMAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-15(13-6-4-7-14(18-13)16(21)22)19-11-5-10-17(12-19)8-2-1-3-9-17/h1-2,4,6-7H,3,5,8-12H2,(H,21,22).
What are the key properties of 6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid?
6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 119185414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).