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

C16H21N3O3 — CID 70735216

IUPAC6-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylic acid
SMILESCCN1CC2(CCN(c3ccc(C(=O)O)cn3)CC2)CC1=O
InChIInChI=1S/C16H21N3O3/c1-2-18-11-16(9-14(18)20)5-7-19(8-6-16)13-4-3-12(10-17-13)15(21)22/h3-4,10H,2,5-9,11H2,1H3,(H,21,22)
InChIKeyNFXUENCRJVBLOV-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.62
Rot. Bonds3

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

6-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylic acid (PubChem CID 70735216) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylic acid
PubChem CID70735216
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name6-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylic acid
SMILESCCN1CC2(CCN(c3ccc(C(=O)O)cn3)CC2)CC1=O
InChIInChI=1S/C16H21N3O3/c1-2-18-11-16(9-14(18)20)5-7-19(8-6-16)13-4-3-12(10-17-13)15(21)22/h3-4,10H,2,5-9,11H2,1H3,(H,21,22)
InChIKeyNFXUENCRJVBLOV-UHFFFAOYSA-N
XLogP1.62
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminonicotinic acid
CID 72930
6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209
6-[(Propan-2-yl)amino]pyridine-3-carboxylic acid
CID 28400003
6-[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 16090856
Aurora A inhibitor-9
CID 134140427
2-(Benzylamino)nicotinic acid
CID 214596
6-(Phenylamino)nicotinic acid
CID 2771812
6-Amino-4-methylnicotinic acid
CID 9964149
6-(Methylamino)pyridine-3-carboxylic acid
CID 22271415
2-Ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-13-carboxylic acid
CID 470715
6-(Cyclopentylamino)nicotinic acid
CID 1447952
6-(Ethylamino)pyridine-3-carboxylic acid
CID 11744994

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylic acid (CID 70735216) is 6-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylic acid is CCN1CC2(CCN(c3ccc(C(=O)O)cn3)CC2)CC1=O.
What is the InChIKey of 6-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylic acid?
The InChIKey is NFXUENCRJVBLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-18-11-16(9-14(18)20)5-7-19(8-6-16)13-4-3-12(10-17-13)15(21)22/h3-4,10H,2,5-9,11H2,1H3,(H,21,22).
What are the key properties of 6-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylic acid?
6-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 70735216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).