4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid

C18H15F5N4O3 — CID 146525692

IUPAC4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C18H15F5N4O3/c19-17(20)2-5-27(6-3-17)14-12(7-10(9-25-14)18(21,22)23)15(28)26-11-1-4-24-13(8-11)16(29)30/h1,4,7-9H,2-3,5-6H2,(H,29,30)(H,24,26,28)
InChIKeyZAVPLJVPXMBRGT-UHFFFAOYSA-N
MW430.33 g/mol
LogP3.68
Rot. Bonds4

About 4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid

4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 146525692) has the molecular formula C18H15F5N4O3 and a molecular weight of 430.33 g/mol. Its IUPAC name is 4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID146525692
Molecular FormulaC18H15F5N4O3
Molecular Weight430.33 g/mol
Exact Mass430.11
IUPAC Name4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C18H15F5N4O3/c19-17(20)2-5-27(6-3-17)14-12(7-10(9-25-14)18(21,22)23)15(28)26-11-1-4-24-13(8-11)16(29)30/h1,4,7-9H,2-3,5-6H2,(H,29,30)(H,24,26,28)
InChIKeyZAVPLJVPXMBRGT-UHFFFAOYSA-N
XLogP3.68
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid (CID 146525692) is 4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid is O=C(O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(F)(F)CC2)ccn1.
What is the InChIKey of 4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is ZAVPLJVPXMBRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N4O3/c19-17(20)2-5-27(6-3-17)14-12(7-10(9-25-14)18(21,22)23)15(28)26-11-1-4-24-13(8-11)16(29)30/h1,4,7-9H,2-3,5-6H2,(H,29,30)(H,24,26,28).
What are the key properties of 4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid?
4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 430.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 146525692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).