2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid

C12H14N2O2 — CID 114325415

IUPAC2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CN2CC3(CC3)C2)c1
InChIInChI=1S/C12H14N2O2/c15-11(16)9-1-4-13-10(5-9)6-14-7-12(8-14)2-3-12/h1,4-5H,2-3,6-8H2,(H,15,16)
InChIKeyHDSLLHONGDVABH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.38
Rot. Bonds3

About 2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid

2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid (PubChem CID 114325415) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid
PubChem CID114325415
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CN2CC3(CC3)C2)c1
InChIInChI=1S/C12H14N2O2/c15-11(16)9-1-4-13-10(5-9)6-14-7-12(8-14)2-3-12/h1,4-5H,2-3,6-8H2,(H,15,16)
InChIKeyHDSLLHONGDVABH-UHFFFAOYSA-N
XLogP1.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid
CID 114325420
2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid
CID 113277697
2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid
CID 114324425
2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid
CID 114324862
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-[(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
2-[(2-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl)methyl]pyridine-4-carboxylic acid
CID 118421371
methyl 2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxylate
CID 15123252

Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid (CID 114325415) is 2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(CN2CC3(CC3)C2)c1.
What is the InChIKey of 2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid?
The InChIKey is HDSLLHONGDVABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11(16)9-1-4-13-10(5-9)6-14-7-12(8-14)2-3-12/h1,4-5H,2-3,6-8H2,(H,15,16).
What are the key properties of 2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid?
2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114325415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).