N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C20H19F6N3O4 — CID 172895263

IUPACN-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccc(OC2CCNCC2)cc1)c1ccc(C(F)(F)F)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H18F3N3O2.C2HF3O2/c19-18(20,21)16-6-1-12(11-23-16)17(25)24-13-2-4-14(5-3-13)26-15-7-9-22-10-8-15;3-2(4,5)1(6)7/h1-6,11,15,22H,7-10H2,(H,24,25);(H,6,7)
InChIKeyQWOSZOZMJYOKNH-UHFFFAOYSA-N
MW479.38 g/mol
LogP4.12
Rot. Bonds4

About N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 172895263) has the molecular formula C20H19F6N3O4 and a molecular weight of 479.38 g/mol. Its IUPAC name is N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID172895263
Molecular FormulaC20H19F6N3O4
Molecular Weight479.38 g/mol
Exact Mass479.13
IUPAC NameN-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccc(OC2CCNCC2)cc1)c1ccc(C(F)(F)F)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H18F3N3O2.C2HF3O2/c19-18(20,21)16-6-1-12(11-23-16)17(25)24-13-2-4-14(5-3-13)26-15-7-9-22-10-8-15;3-2(4,5)1(6)7/h1-6,11,15,22H,7-10H2,(H,24,25);(H,6,7)
InChIKeyQWOSZOZMJYOKNH-UHFFFAOYSA-N
XLogP4.12
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.38
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119581155
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131941411
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43055984
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33174489
N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide
CID 149149599
(2,2,2-trifluoroacetyl) 4-piperidin-4-yloxybenzoate
CID 123933976
N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide
CID 166295647
N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33167941
N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126856476
N-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 114696387

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 172895263) is N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1ccc(OC2CCNCC2)cc1)c1ccc(C(F)(F)F)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is QWOSZOZMJYOKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2.C2HF3O2/c19-18(20,21)16-6-1-12(11-23-16)17(25)24-13-2-4-14(5-3-13)26-15-7-9-22-10-8-15;3-2(4,5)1(6)7/h1-6,11,15,22H,7-10H2,(H,24,25);(H,6,7).
What are the key properties of N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 479.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172895263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).