N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide

C20H23F3N4O4 — CID 177015174

IUPACN-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide
SMILESCCCNC(=O)c1cnc(OC[C@H]2OCCCC2Oc2cccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C20H23F3N4O4/c1-2-8-24-19(28)13-10-26-18(11-25-13)30-12-15-14(5-4-9-29-15)31-17-7-3-6-16(27-17)20(21,22)23/h3,6-7,10-11,14-15H,2,4-5,8-9,12H2,1H3,(H,24,28)/t14?,15-/m1/s1
InChIKeyRURAXZAZKZGGIX-YSSOQSIOSA-N
MW440.42 g/mol
LogP3.04
Rot. Bonds8

About N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide

N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide (PubChem CID 177015174) has the molecular formula C20H23F3N4O4 and a molecular weight of 440.42 g/mol. Its IUPAC name is N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide
PubChem CID177015174
Molecular FormulaC20H23F3N4O4
Molecular Weight440.42 g/mol
Exact Mass440.17
IUPAC NameN-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide
SMILESCCCNC(=O)c1cnc(OC[C@H]2OCCCC2Oc2cccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C20H23F3N4O4/c1-2-8-24-19(28)13-10-26-18(11-25-13)30-12-15-14(5-4-9-29-15)31-17-7-3-6-16(27-17)20(21,22)23/h3,6-7,10-11,14-15H,2,4-5,8-9,12H2,1H3,(H,24,28)/t14?,15-/m1/s1
InChIKeyRURAXZAZKZGGIX-YSSOQSIOSA-N
XLogP3.04
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide with MolForge

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Related Compounds

US9840501, Example 36
CID 118484404
US9840501, Example 56
CID 118485018
US10023559, Example 77
CID 118903705
N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide
CID 151188052
N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide
CID 42480012
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 45827489
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 45827493
N-(2,4-difluoro-6-piperidin-4-yloxyphenyl)pyrazine-2-carboxamide
CID 172436697
(2S,4S)-N-(2-methoxyethyl)-1-(2-pyrazinylcarbonyl)-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide
CID 110198820
pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone
CID 75536892
N-(2-Methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
CID 110198831
Pyrazin-2-yl(4-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 71798754

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide?
The IUPAC name of N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide (CID 177015174) is N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide.
What is the SMILES notation for N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide?
The canonical SMILES for N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide is CCCNC(=O)c1cnc(OC[C@H]2OCCCC2Oc2cccc(C(F)(F)F)n2)cn1.
What is the InChIKey of N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide?
The InChIKey is RURAXZAZKZGGIX-YSSOQSIOSA-N. The full InChI is InChI=1S/C20H23F3N4O4/c1-2-8-24-19(28)13-10-26-18(11-25-13)30-12-15-14(5-4-9-29-15)31-17-7-3-6-16(27-17)20(21,22)23/h3,6-7,10-11,14-15H,2,4-5,8-9,12H2,1H3,(H,24,28)/t14?,15-/m1/s1.
What are the key properties of N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide?
N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide has a molecular weight of 440.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 177015174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).