2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid

C15H18N2O2 — CID 56874712

IUPAC2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)c1
InChIInChI=1S/C15H18N2O2/c18-15(19)11-3-4-16-14(6-11)17-7-12-9-1-2-10(5-9)13(12)8-17/h3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,18,19)/t9-,10+,12-,13+
InChIKeyODRNFWXVGJHWBX-NIFPGPBJSA-N
MW258.32 g/mol
LogP2.26
Rot. Bonds2

About 2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid

2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid (PubChem CID 56874712) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid
PubChem CID56874712
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)c1
InChIInChI=1S/C15H18N2O2/c18-15(19)11-3-4-16-14(6-11)17-7-12-9-1-2-10(5-9)13(12)8-17/h3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,18,19)/t9-,10+,12-,13+
InChIKeyODRNFWXVGJHWBX-NIFPGPBJSA-N
XLogP2.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid
CID 83832434
2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 43133367
2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 62369629
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 133138711
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)pyridine-4-carboxylic acid
CID 81115228
2-(3-chloro-4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 91579953
2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 93394486
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 95735597
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778
phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 72845735
2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-4-carboxamide
CID 138380561

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid (CID 56874712) is 2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)c1.
What is the InChIKey of 2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid?
The InChIKey is ODRNFWXVGJHWBX-NIFPGPBJSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(19)11-3-4-16-14(6-11)17-7-12-9-1-2-10(5-9)13(12)8-17/h3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,18,19)/t9-,10+,12-,13+.
What are the key properties of 2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid?
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 56874712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).