N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

C17H20F3N5O4 — CID 171557388

IUPACN-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ccccn1
InChIInChI=1S/C12H16N2O4.C5H4F3N3/c15-9-4-6-18-10(11(9)16)7-14-12(17)8-3-1-2-5-13-8;6-5(7,8)3-1-10-2-4(9)11-3/h1-3,5,9-11,15-16H,4,6-7H2,(H,14,17);1-2H,(H2,9,11)
InChIKeyYYSFZMPHFAZWNE-UHFFFAOYSA-N
MW415.37 g/mol
LogP0.40
Rot. Bonds3

About N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171557388) has the molecular formula C17H20F3N5O4 and a molecular weight of 415.37 g/mol. Its IUPAC name is N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171557388
Molecular FormulaC17H20F3N5O4
Molecular Weight415.37 g/mol
Exact Mass415.15
IUPAC NameN-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ccccn1
InChIInChI=1S/C12H16N2O4.C5H4F3N3/c15-9-4-6-18-10(11(9)16)7-14-12(17)8-3-1-2-5-13-8;6-5(7,8)3-1-10-2-4(9)11-3/h1-3,5,9-11,15-16H,4,6-7H2,(H,14,17);1-2H,(H2,9,11)
InChIKeyYYSFZMPHFAZWNE-UHFFFAOYSA-N
XLogP0.40
TPSA143.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

[(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 164639307
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]pyridazine-3-carboxamide
CID 167221839
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide
CID 167221955
1-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-3-phenylurea
CID 167221960
N-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide
CID 171399935
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-(4-methylphenyl)pyridine-3-carboxamide
CID 171400081
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 171400142
N-[(3,4-dihydroxyoxan-2-yl)methyl]-4-phenylbenzamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171556590
4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171556691
N-[(3,4-dihydroxyoxan-2-yl)methyl]-5-phenylpyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171556716
N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171556729
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]quinoxaline-2-carboxamide
CID 171556839

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (CID 171557388) is N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ccccn1.
What is the InChIKey of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is YYSFZMPHFAZWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4.C5H4F3N3/c15-9-4-6-18-10(11(9)16)7-14-12(17)8-3-1-2-5-13-8;6-5(7,8)3-1-10-2-4(9)11-3/h1-3,5,9-11,15-16H,4,6-7H2,(H,14,17);1-2H,(H2,9,11).
What are the key properties of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 415.37 g/mol, XLogP of 0.40, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171557388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).