6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid

C17H19N3O2 — CID 122054364

IUPAC6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCCC(Nc3ccccc3)C2)n1
InChIInChI=1S/C17H19N3O2/c21-17(22)15-9-4-10-16(19-15)20-11-5-8-14(12-20)18-13-6-2-1-3-7-13/h1-4,6-7,9-10,14,18H,5,8,11-12H2,(H,21,22)
InChIKeyVGHUXSWORFYDDY-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.86
Rot. Bonds4

About 6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid

6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 122054364) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
PubChem CID122054364
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCCC(Nc3ccccc3)C2)n1
InChIInChI=1S/C17H19N3O2/c21-17(22)15-9-4-10-16(19-15)20-11-5-8-14(12-20)18-13-6-2-1-3-7-13/h1-4,6-7,9-10,14,18H,5,8,11-12H2,(H,21,22)
InChIKeyVGHUXSWORFYDDY-UHFFFAOYSA-N
XLogP2.86
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122057511
6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide
CID 97099971
6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053938
6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122051931
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 97226290
6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053596
6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile
CID 133363190
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid
CID 62239893
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191

Frequently Asked Questions

What is the IUPAC name of 6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid (CID 122054364) is 6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCCC(Nc3ccccc3)C2)n1.
What is the InChIKey of 6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is VGHUXSWORFYDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(22)15-9-4-10-16(19-15)20-11-5-8-14(12-20)18-13-6-2-1-3-7-13/h1-4,6-7,9-10,14,18H,5,8,11-12H2,(H,21,22).
What are the key properties of 6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid?
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 122054364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).