(2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide

C17H21F3N4O2 — CID 147774261

IUPAC(2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide
SMILES[H]/N=C(\C=C(/O)C(C)(C)C)NC(=O)[C@@H]1CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H21F3N4O2/c1-16(2,3)12(25)8-13(21)23-15(26)11-6-7-24(11)14-5-4-10(9-22-14)17(18,19)20/h4-5,8-9,11,25H,6-7H2,1-3H3,(H2,21,23,26)/b12-8-/t11-/m0/s1
InChIKeyHGNJFWYPORDILE-LCFDYFRESA-N
MW370.38 g/mol
LogP3.26
Rot. Bonds3

About (2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide

(2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide (PubChem CID 147774261) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is (2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide
PubChem CID147774261
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Name(2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide
SMILES[H]/N=C(\C=C(/O)C(C)(C)C)NC(=O)[C@@H]1CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H21F3N4O2/c1-16(2,3)12(25)8-13(21)23-15(26)11-6-7-24(11)14-5-4-10(9-22-14)17(18,19)20/h4-5,8-9,11,25H,6-7H2,1-3H3,(H2,21,23,26)/b12-8-/t11-/m0/s1
InChIKeyHGNJFWYPORDILE-LCFDYFRESA-N
XLogP3.26
TPSA89.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide 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

(2S)-N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 136641161
(2S)-1-(4-chlorophenyl)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]pyrrolidine-2-carboxamide
CID 173480363
(2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide
CID 163783010
[3-methyl-1-[[2-[[1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carbonyl]amino]acetyl]amino]butyl]boronic acid
CID 149078609
[1-[[3-cyclopropyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutyl]boronic acid
CID 146770304
N-(furan-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 86930900
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone
CID 158921955
5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid
CID 61389260
N-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
CID 165434491
2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide
CID 100689790
(2S)-N-(3-amino-5-hydroxy-4,4-dimethylpent-2-enoyl)-1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide
CID 162588288

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide?
The IUPAC name of (2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide (CID 147774261) is (2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide is [H]/N=C(\C=C(/O)C(C)(C)C)NC(=O)[C@@H]1CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide?
The InChIKey is HGNJFWYPORDILE-LCFDYFRESA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-16(2,3)12(25)8-13(21)23-15(26)11-6-7-24(11)14-5-4-10(9-22-14)17(18,19)20/h4-5,8-9,11,25H,6-7H2,1-3H3,(H2,21,23,26)/b12-8-/t11-/m0/s1.
What are the key properties of (2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide?
(2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide is sourced from PubChem (CID 147774261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).