(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

C14H19F3N2O3 — CID 94353106

IUPAC(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1c(C)cnc(CNC(=O)[C@H](C)OCC(F)(F)F)c1C
InChIInChI=1S/C14H19F3N2O3/c1-8-5-18-11(9(2)12(8)21-4)6-19-13(20)10(3)22-7-14(15,16)17/h5,10H,6-7H2,1-4H3,(H,19,20)/t10-/m0/s1
InChIKeyFYOYKOTZDZWHLT-JTQLQIEISA-N
MW320.31 g/mol
LogP2.29
Rot. Bonds6

About (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 94353106) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID94353106
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1c(C)cnc(CNC(=O)[C@H](C)OCC(F)(F)F)c1C
InChIInChI=1S/C14H19F3N2O3/c1-8-5-18-11(9(2)12(8)21-4)6-19-13(20)10(3)22-7-14(15,16)17/h5,10H,6-7H2,1-4H3,(H,19,20)/t10-/m0/s1
InChIKeyFYOYKOTZDZWHLT-JTQLQIEISA-N
XLogP2.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentanamide
CID 95315582
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 131921625
(2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 94204725
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471729
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472739
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 97196249
tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 49354339
1-ethyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111872131
1-chloro-1,1-difluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 112574809
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 56505076
N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 43825822
(2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 96510071

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 94353106) is (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is COc1c(C)cnc(CNC(=O)[C@H](C)OCC(F)(F)F)c1C.
What is the InChIKey of (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is FYOYKOTZDZWHLT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-8-5-18-11(9(2)12(8)21-4)6-19-13(20)10(3)22-7-14(15,16)17/h5,10H,6-7H2,1-4H3,(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 320.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 94353106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).