N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

C11H13F3N4O2 — CID 114909242

IUPACN-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C/C(N)=N/O)NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H13F3N4O2/c1-6(4-9(15)18-20)17-10(19)8-3-2-7(5-16-8)11(12,13)14/h2-3,5-6,20H,4H2,1H3,(H2,15,18)(H,17,19)
InChIKeyTWJLXICPKNKUKM-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.36
Rot. Bonds4

About N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 114909242) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID114909242
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC NameN-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C/C(N)=N/O)NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H13F3N4O2/c1-6(4-9(15)18-20)17-10(19)8-3-2-7(5-16-8)11(12,13)14/h2-3,5-6,20H,4H2,1H3,(H2,15,18)(H,17,19)
InChIKeyTWJLXICPKNKUKM-UHFFFAOYSA-N
XLogP1.36
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-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

N-(4-amino-4-hydroxyiminobutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 76935917
3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid
CID 122107646
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424
4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908307
N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114389784
N-(1-chloro-4-methylpentan-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106354916
2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908315
(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid
CID 107144499
N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 135949149
3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
CID 114908376
N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 114909242) is N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is CC(C/C(N)=N/O)NC(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is TWJLXICPKNKUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-6(4-9(15)18-20)17-10(19)8-3-2-7(5-16-8)11(12,13)14/h2-3,5-6,20H,4H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 114909242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).