6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid

C18H19F2N3O2 — CID 122047845

IUPAC6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C18H19F2N3O2/c19-14-5-4-12(10-15(14)20)11-23-8-6-13(7-9-23)21-17-3-1-2-16(22-17)18(24)25/h1-5,10,13H,6-9,11H2,(H,21,22)(H,24,25)
InChIKeySXHRRBMKRUKBCO-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.13
Rot. Bonds5

About 6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid

6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122047845) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid
PubChem CID122047845
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C18H19F2N3O2/c19-14-5-4-12(10-15(14)20)11-23-8-6-13(7-9-23)21-17-3-1-2-16(22-17)18(24)25/h1-5,10,13H,6-9,11H2,(H,21,22)(H,24,25)
InChIKeySXHRRBMKRUKBCO-UHFFFAOYSA-N
XLogP3.13
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid (CID 122047845) is 6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)n1.
What is the InChIKey of 6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is SXHRRBMKRUKBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c19-14-5-4-12(10-15(14)20)11-23-8-6-13(7-9-23)21-17-3-1-2-16(22-17)18(24)25/h1-5,10,13H,6-9,11H2,(H,21,22)(H,24,25).
What are the key properties of 6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid?
6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 347.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122047845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).