5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid

C18H24F4N4O2 — CID 123181374

IUPAC5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)c(N2CCC(F)CC2)nc1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H24F4N4O2/c19-11-5-7-26(8-6-11)16-13(17(27)28)9-14(23)15(25-16)24-12-3-1-10(2-4-12)18(20,21)22/h9-12H,1-8,23H2,(H,24,25)(H,27,28)
InChIKeyKPNUREGFEPUYEU-UHFFFAOYSA-N
MW404.41 g/mol
LogP3.83
Rot. Bonds4

About 5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid

5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid (PubChem CID 123181374) has the molecular formula C18H24F4N4O2 and a molecular weight of 404.41 g/mol. Its IUPAC name is 5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid
PubChem CID123181374
Molecular FormulaC18H24F4N4O2
Molecular Weight404.41 g/mol
Exact Mass404.18
IUPAC Name5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)c(N2CCC(F)CC2)nc1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H24F4N4O2/c19-11-5-7-26(8-6-11)16-13(17(27)28)9-14(23)15(25-16)24-12-3-1-10(2-4-12)18(20,21)22/h9-12H,1-8,23H2,(H,24,25)(H,27,28)
InChIKeyKPNUREGFEPUYEU-UHFFFAOYSA-N
XLogP3.83
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid (CID 123181374) is 5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid is Nc1cc(C(=O)O)c(N2CCC(F)CC2)nc1NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid?
The InChIKey is KPNUREGFEPUYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F4N4O2/c19-11-5-7-26(8-6-11)16-13(17(27)28)9-14(23)15(25-16)24-12-3-1-10(2-4-12)18(20,21)22/h9-12H,1-8,23H2,(H,24,25)(H,27,28).
What are the key properties of 5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid?
5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid has a molecular weight of 404.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 123181374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).