6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid

C20H23F3N4O3 — CID 67143769

IUPAC6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCC(CC2CCCCC2)n2cc(C(F)(F)F)ncc2=O)nc1
InChIInChI=1S/C20H23F3N4O3/c21-20(22,23)16-12-27(18(28)11-24-16)15(8-13-4-2-1-3-5-13)10-26-17-7-6-14(9-25-17)19(29)30/h6-7,9,11-13,15H,1-5,8,10H2,(H,25,26)(H,29,30)
InChIKeyOVSMMNZUSIWYOX-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.98
Rot. Bonds7

About 6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid

6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid (PubChem CID 67143769) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is 6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid
PubChem CID67143769
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC Name6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCC(CC2CCCCC2)n2cc(C(F)(F)F)ncc2=O)nc1
InChIInChI=1S/C20H23F3N4O3/c21-20(22,23)16-12-27(18(28)11-24-16)15(8-13-4-2-1-3-5-13)10-26-17-7-6-14(9-25-17)19(29)30/h6-7,9,11-13,15H,1-5,8,10H2,(H,25,26)(H,29,30)
InChIKeyOVSMMNZUSIWYOX-UHFFFAOYSA-N
XLogP3.98
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

Niflumic Acid
CID 4488
Flunixin
CID 38081
Pf-04991532
CID 46181428
Metanixin
CID 10466908
Nixylic acid
CID 71827
Imazapyr-isopropylammonium
CID 62286
6-[(Propan-2-yl)amino]pyridine-3-carboxylic acid
CID 28400003
6-(Cyclopropylamino)pyridine-3-carboxylic acid
CID 28400038
6-[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 16090856
Aurora A inhibitor-9
CID 134140427
2-(Benzylamino)nicotinic acid
CID 214596
6-(Acetylamino)nicotinic acid
CID 419744

Frequently Asked Questions

What is the IUPAC name of 6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid (CID 67143769) is 6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NCC(CC2CCCCC2)n2cc(C(F)(F)F)ncc2=O)nc1.
What is the InChIKey of 6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid?
The InChIKey is OVSMMNZUSIWYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c21-20(22,23)16-12-27(18(28)11-24-16)15(8-13-4-2-1-3-5-13)10-26-17-7-6-14(9-25-17)19(29)30/h6-7,9,11-13,15H,1-5,8,10H2,(H,25,26)(H,29,30).
What are the key properties of 6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid?
6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid has a molecular weight of 424.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67143769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).