2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid

C14H18N2O3 — CID 113277697

IUPAC2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CN2CC3(CCOCC3)C2)c1
InChIInChI=1S/C14H18N2O3/c17-13(18)11-1-4-15-12(7-11)8-16-9-14(10-16)2-5-19-6-3-14/h1,4,7H,2-3,5-6,8-10H2,(H,17,18)
InChIKeyXVPVNYLIFWZPAF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.39
Rot. Bonds3

About 2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid

2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid (PubChem CID 113277697) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid
PubChem CID113277697
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CN2CC3(CCOCC3)C2)c1
InChIInChI=1S/C14H18N2O3/c17-13(18)11-1-4-15-12(7-11)8-16-9-14(10-16)2-5-19-6-3-14/h1,4,7H,2-3,5-6,8-10H2,(H,17,18)
InChIKeyXVPVNYLIFWZPAF-UHFFFAOYSA-N
XLogP1.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid
CID 114325415
2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid
CID 114325420
2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid
CID 114324862
4-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]benzoic acid
CID 79694512
2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid
CID 114324425
2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid
CID 114324861
2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid
CID 114324863
2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid
CID 166305008
2-[(4-benzhydryl-1,4-diazepan-1-yl)methyl]pyridine-4-carboxylic acid
CID 89474862
2-[[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]-3-oxo-1,4-diazepan-1-yl]methyl]pyridine-4-carboxylic acid
CID 139400943
2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid
CID 114324415
2-[(1,1-dioxothiazinan-2-yl)methyl]pyridine-4-carboxylic acid
CID 116814508

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid (CID 113277697) is 2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(CN2CC3(CCOCC3)C2)c1.
What is the InChIKey of 2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid?
The InChIKey is XVPVNYLIFWZPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)11-1-4-15-12(7-11)8-16-9-14(10-16)2-5-19-6-3-14/h1,4,7H,2-3,5-6,8-10H2,(H,17,18).
What are the key properties of 2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid?
2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 113277697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).