2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid

C12H14N4O2 — CID 14687183

IUPAC2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(N)nc1N1CCCCC1
InChIInChI=1S/C12H14N4O2/c13-7-8-6-9(12(17)18)10(14)15-11(8)16-4-2-1-3-5-16/h6H,1-5H2,(H2,14,15)(H,17,18)
InChIKeyQTFVWNAPFKALMU-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.22
Rot. Bonds2

About 2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid

2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid (PubChem CID 14687183) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid
PubChem CID14687183
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(N)nc1N1CCCCC1
InChIInChI=1S/C12H14N4O2/c13-7-8-6-9(12(17)18)10(14)15-11(8)16-4-2-1-3-5-16/h6H,1-5H2,(H2,14,15)(H,17,18)
InChIKeyQTFVWNAPFKALMU-UHFFFAOYSA-N
XLogP1.22
TPSA103.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid (CID 14687183) is 2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid is N#Cc1cc(C(=O)O)c(N)nc1N1CCCCC1.
What is the InChIKey of 2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is QTFVWNAPFKALMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-7-8-6-9(12(17)18)10(14)15-11(8)16-4-2-1-3-5-16/h6H,1-5H2,(H2,14,15)(H,17,18).
What are the key properties of 2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid?
2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 14687183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).