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

C23H24F3N5O4 — CID 171556729

IUPACN-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C18H20N2O4.C5H4F3N3/c21-15-8-9-24-16(17(15)22)11-20-18(23)13-6-7-14(19-10-13)12-4-2-1-3-5-12;6-5(7,8)3-1-10-2-4(9)11-3/h1-7,10,15-17,21-22H,8-9,11H2,(H,20,23);1-2H,(H2,9,11)
InChIKeyPJKQZOLLJOLQOW-UHFFFAOYSA-N
MW491.47 g/mol
LogP2.07
Rot. Bonds4

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

N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171556729) has the molecular formula C23H24F3N5O4 and a molecular weight of 491.47 g/mol. Its IUPAC name is N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171556729
Molecular FormulaC23H24F3N5O4
Molecular Weight491.47 g/mol
Exact Mass491.18
IUPAC NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C18H20N2O4.C5H4F3N3/c21-15-8-9-24-16(17(15)22)11-20-18(23)13-6-7-14(19-10-13)12-4-2-1-3-5-12;6-5(7,8)3-1-10-2-4(9)11-3/h1-7,10,15-17,21-22H,8-9,11H2,(H,20,23);1-2H,(H2,9,11)
InChIKeyPJKQZOLLJOLQOW-UHFFFAOYSA-N
XLogP2.07
TPSA143.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[5-Amino-6-[6-(trifluoromethyl)-3-pyridyl]pyrazin-2-yl]phenyl]-morpholino-methanone
CID 71711917
[4-[5-Amino-6-[6-(trifluoromethyl)pyridin-3-yl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 71712054
[4-[5-Amino-6-[6-(trifluoromethyl)pyridin-3-yl]pyrazin-2-yl]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 71712124
4-(3-amino-6-pyridin-4-ylpyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045402
US10030016, Example 231
CID 68160966
US10030016, Example 245
CID 68161311
[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90313762
[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone
CID 90313790
(R)-N-(2'-(2-((2-hydroxyacetamido)methyl)morpholino)-2-methyl-[3,4'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide
CID 90408063
2-(2,6-Difluorophenyl)-4-[[5-(3-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341325
2-(2,6-difluorophenyl)-4-[[5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118348187
2-(2,6-difluorophenyl)-4-[[5-[(3S)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118348281

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (CID 171556729) is N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is PJKQZOLLJOLQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4.C5H4F3N3/c21-15-8-9-24-16(17(15)22)11-20-18(23)13-6-7-14(19-10-13)12-4-2-1-3-5-12;6-5(7,8)3-1-10-2-4(9)11-3/h1-7,10,15-17,21-22H,8-9,11H2,(H,20,23);1-2H,(H2,9,11).
What are the key properties of N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 491.47 g/mol, XLogP of 2.07, 4 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]-6-phenylpyridine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171556729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).