(3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide

C18H19F3N4O2 — CID 122516815

IUPAC(3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide
SMILESNCc1cc(O[C@@H]2CCN(C(=O)Nc3ccccc3)C2)nc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)15-8-12(10-22)9-16(24-15)27-14-6-7-25(11-14)17(26)23-13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-11,22H2,(H,23,26)/t14-/m1/s1
InChIKeyZWHOTPNCEFWATE-CQSZACIVSA-N
MW380.37 g/mol
LogP3.24
Rot. Bonds4

About (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide

(3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide (PubChem CID 122516815) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide
PubChem CID122516815
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name(3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide
SMILESNCc1cc(O[C@@H]2CCN(C(=O)Nc3ccccc3)C2)nc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)15-8-12(10-22)9-16(24-15)27-14-6-7-25(11-14)17(26)23-13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-11,22H2,(H,23,26)/t14-/m1/s1
InChIKeyZWHOTPNCEFWATE-CQSZACIVSA-N
XLogP3.24
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(((3S,4S)/(3R,4R)-4-(2-(2-(3-Fluorophenoxy)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
CID 46880968
(3R)-3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-phenylpiperidine-1-carboxamide
CID 122517020
(3S)-3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-phenylpiperidine-1-carboxamide
CID 122517043
1-[[2-hexoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162643240
1-(2-oxo-1H-quinolin-5-yl)-3-[[2-pentoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 162668067
1-[[2-(2-methylpropoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162672602
1-[[2-butoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162672721
1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162673718
N-ethyl-N-(3-methylphenyl)-2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetamide
CID 168271423
1-(3-(Trifluoromethyl)phenyl)-3-((1r,4r)-4-((5-(trifluoromethyl)pyridin-2-yl)oxy)cyclohexyl)urea
CID 92095069
1-[2-[[6-[4-[4-(Trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]methylamino]ethyl]imidazolidin-2-one
CID 56943524
N-[4-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]oxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510572

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide (CID 122516815) is (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide is NCc1cc(O[C@@H]2CCN(C(=O)Nc3ccccc3)C2)nc(C(F)(F)F)c1.
What is the InChIKey of (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is ZWHOTPNCEFWATE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)15-8-12(10-22)9-16(24-15)27-14-6-7-25(11-14)17(26)23-13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-11,22H2,(H,23,26)/t14-/m1/s1.
What are the key properties of (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide?
(3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 122516815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).