6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine

C17H18F3N5O5 — CID 171556929

IUPAC6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(O)c1ccc(C(=O)N2CCC(O)C(O)C2)nc1
InChIInChI=1S/C12H14N2O5.C5H4F3N3/c15-9-3-4-14(6-10(9)16)11(17)8-2-1-7(5-13-8)12(18)19;6-5(7,8)3-1-10-2-4(9)11-3/h1-2,5,9-10,15-16H,3-4,6H2,(H,18,19);1-2H,(H2,9,11)
InChIKeyNRFPZTRDGRDRGI-UHFFFAOYSA-N
MW429.36 g/mol
LogP0.43
Rot. Bonds2

About 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine

6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171556929) has the molecular formula C17H18F3N5O5 and a molecular weight of 429.36 g/mol. Its IUPAC name is 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171556929
Molecular FormulaC17H18F3N5O5
Molecular Weight429.36 g/mol
Exact Mass429.13
IUPAC Name6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(O)c1ccc(C(=O)N2CCC(O)C(O)C2)nc1
InChIInChI=1S/C12H14N2O5.C5H4F3N3/c15-9-3-4-14(6-10(9)16)11(17)8-2-1-7(5-13-8)12(18)19;6-5(7,8)3-1-10-2-4(9)11-3/h1-2,5,9-10,15-16H,3-4,6H2,(H,18,19);1-2H,(H2,9,11)
InChIKeyNRFPZTRDGRDRGI-UHFFFAOYSA-N
XLogP0.43
TPSA162.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

US11377438, Example 4
CID 146525692
US11377438, Example 3
CID 146526003
6-[[(2S)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]pyridine-3-carboxylic acid
CID 46864734
methyl 6-[[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamoyl]pyridine-3-carboxylate
CID 67121649
6-[[3-(Oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]pyridine-3-carboxylic acid
CID 67143711
6-[[1-[3,3-Difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamoyl]pyridine-3-carboxylic acid
CID 123391597
6-[[3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4,5-dihydropyrimidin-6-yl]carbamoyl]pyridine-3-carboxylic acid
CID 123663482
5-[[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 123796027
6-[(5-{[(1R,2S)-2-aminocyclohexyl]amino}-2-carbamoylpyridin-3-yl)amino]-2-methylpyridine-3-carboxylic acid TFA salt
CID 131734336
6-[[(9S)-5-(2,2,2-trifluoroethylcarbamoyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carbonyl]amino]pyridine-3-carboxylic acid
CID 132231022
6-[[5-(2,2,2-Trifluoroethylcarbamoyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carbonyl]amino]pyridine-3-carboxylic acid
CID 132250388
5-[Cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
CID 168987952

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine (CID 171556929) is 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.O=C(O)c1ccc(C(=O)N2CCC(O)C(O)C2)nc1.
What is the InChIKey of 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is NRFPZTRDGRDRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5.C5H4F3N3/c15-9-3-4-14(6-10(9)16)11(17)8-2-1-7(5-13-8)12(18)19;6-5(7,8)3-1-10-2-4(9)11-3/h1-2,5,9-10,15-16H,3-4,6H2,(H,18,19);1-2H,(H2,9,11).
What are the key properties of 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine?
6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 429.36 g/mol, XLogP of 0.43, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171556929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).