(2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one

C19H26F3N3O2 — CID 90988977

IUPAC(2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H26F3N3O2/c1-13(2)10-17(23)18(26)25-8-6-16(7-9-25)24-27-12-14-4-3-5-15(11-14)19(20,21)22/h3-6,11,13,17,24H,7-10,12,23H2,1-2H3/t17-/m0/s1
InChIKeyNNKLGGGHIDWADH-KRWDZBQOSA-N
MW385.43 g/mol
LogP3.22
Rot. Bonds7

About (2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one

(2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one (PubChem CID 90988977) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
PubChem CID90988977
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC Name(2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H26F3N3O2/c1-13(2)10-17(23)18(26)25-8-6-16(7-9-25)24-27-12-14-4-3-5-15(11-14)19(20,21)22/h3-6,11,13,17,24H,7-10,12,23H2,1-2H3/t17-/m0/s1
InChIKeyNNKLGGGHIDWADH-KRWDZBQOSA-N
XLogP3.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-benzyloxy-N-[3-(dimethylamino)propyl]dodecanamide
CID 71591480
3-[2-Aminododecanoyl(benzyloxy)amino]propyl-trimethyl-ammonium
CID 71591604
2-amino-N-benzyloxy-N-[3-(dimethylamino)propyl]octanamide
CID 71591605
3-[2-Aminooctanoyl(benzyloxy)amino]propyl-trimethyl-ammonium
CID 71591626
(2S)-4-methyl-2-(methylamino)-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]pentan-1-one;hydrochloride
CID 24812497
(2S)-4-methyl-2-(methylamino)-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]pentan-1-one
CID 24812498
1-((S)-3-amino-5-methylhexanoyl)piperidin-4-one O-(3-trifluoromethylbenzyl)oxime
CID 57992657
4-Methyl-2-(methylamino)-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]pentan-1-one;hydrochloride
CID 74322937
3-Amino-5-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]hexan-1-one
CID 76698520
(2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]pentan-1-one;hydrochloride
CID 87660600
2-Amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]pentan-1-one;hydrochloride
CID 87660602
N-[(3Z,5E)-6-amino-5-fluorohexa-1,3,5-trien-2-yl]-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 89217385

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one?
The IUPAC name of (2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one (CID 90988977) is (2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one.
What is the SMILES notation for (2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one?
The canonical SMILES for (2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one is CC(C)C[C@H](N)C(=O)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one?
The InChIKey is NNKLGGGHIDWADH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-13(2)10-17(23)18(26)25-8-6-16(7-9-25)24-27-12-14-4-3-5-15(11-14)19(20,21)22/h3-6,11,13,17,24H,7-10,12,23H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one?
(2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one has a molecular weight of 385.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one is sourced from PubChem (CID 90988977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).