6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid

C19H25N3O3 — CID 72928045

IUPAC6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid
SMILESCC(C)=CCN1CC2(CCN(c3ccc(C(=O)O)cn3)CC2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-14(2)5-8-22-13-19(11-17(22)23)6-9-21(10-7-19)16-4-3-15(12-20-16)18(24)25/h3-5,12H,6-11,13H2,1-2H3,(H,24,25)
InChIKeyHBGQQTUEDVJYLI-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.56
Rot. Bonds4

About 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid

6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid (PubChem CID 72928045) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid
PubChem CID72928045
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid
SMILESCC(C)=CCN1CC2(CCN(c3ccc(C(=O)O)cn3)CC2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-14(2)5-8-22-13-19(11-17(22)23)6-9-21(10-7-19)16-4-3-15(12-20-16)18(24)25/h3-5,12H,6-11,13H2,1-2H3,(H,24,25)
InChIKeyHBGQQTUEDVJYLI-UHFFFAOYSA-N
XLogP2.56
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72849443
6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid
CID 72841401
8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72860734
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 103356410
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63161227
(3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95715102
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
2-(3-methylbut-2-enyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72894081
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
CID 121200824
2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 91940108
6-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 97145855
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid (CID 72928045) is 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid is CC(C)=CCN1CC2(CCN(c3ccc(C(=O)O)cn3)CC2)CC1=O.
What is the InChIKey of 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid?
The InChIKey is HBGQQTUEDVJYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(2)5-8-22-13-19(11-17(22)23)6-9-21(10-7-19)16-4-3-15(12-20-16)18(24)25/h3-5,12H,6-11,13H2,1-2H3,(H,24,25).
What are the key properties of 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid?
6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 72928045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).