N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide

C19H19F3N2O2 — CID 11501454

IUPACN-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide
SMILESCOc1ncc(C2CC2)cc1CNC(=O)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H19F3N2O2/c1-26-18-15(9-14(10-24-18)12-7-8-12)11-23-17(25)16(19(20,21)22)13-5-3-2-4-6-13/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,23,25)
InChIKeyZGYDEPQGHGADDP-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.93
Rot. Bonds6

About N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide

N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide (PubChem CID 11501454) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide
PubChem CID11501454
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide
SMILESCOc1ncc(C2CC2)cc1CNC(=O)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H19F3N2O2/c1-26-18-15(9-14(10-24-18)12-7-8-12)11-23-17(25)16(19(20,21)22)13-5-3-2-4-6-13/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,23,25)
InChIKeyZGYDEPQGHGADDP-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane
CID 143236897
trans-(1S,2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96999756
(2S,3S,4S,5S)-3-tert-butyl-4-[(5-cyclobutyl-2-methoxy-3-pyridinyl)methylamino]-1-(cyclohexanecarbonyl)-5-(2-propan-2-ylphenyl)pyrrolidine-2-carboxylic acid
CID 140859051
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
(2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide
CID 71102711
2-cyclopropyl-N-[(2-methoxy-3-pyridinyl)methyl]quinoline-4-carboxamide
CID 37485659
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
CID 60857697
(2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide
CID 143689186
(2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 95208041
(2S,3S,4S,5S)-3-tert-butyl-4-[(5-cyclobutyl-2-methoxy-3-pyridinyl)methylamino]-1-(3,5-dimethylcyclohexanecarbonyl)-5-phenylpyrrolidine-2-carboxylic acid
CID 140857955
(2S,3S,4S,5S)-3-tert-butyl-4-[(5-cyclobutyl-2-methoxy-3-pyridinyl)methylamino]-5-(2-cyclopropylphenyl)-1-[(2S)-oxolane-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 140858019

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide?
The IUPAC name of N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide (CID 11501454) is N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide.
What is the SMILES notation for N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide?
The canonical SMILES for N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide is COc1ncc(C2CC2)cc1CNC(=O)C(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide?
The InChIKey is ZGYDEPQGHGADDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-26-18-15(9-14(10-24-18)12-7-8-12)11-23-17(25)16(19(20,21)22)13-5-3-2-4-6-13/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,23,25).
What are the key properties of N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide?
N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide has a molecular weight of 364.37 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide is sourced from PubChem (CID 11501454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).