N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide

C11H9F3N2O — CID 114389784

IUPACN-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC#CC(C)NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H9F3N2O/c1-3-7(2)16-10(17)9-5-4-8(6-15-9)11(12,13)14/h1,4-7H,2H3,(H,16,17)
InChIKeyVNMCXPDWIIZMIY-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.85
Rot. Bonds2

About N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide

N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 114389784) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID114389784
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC NameN-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC#CC(C)NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H9F3N2O/c1-3-7(2)16-10(17)9-5-4-8(6-15-9)11(12,13)14/h1,4-7H,2H3,(H,16,17)
InChIKeyVNMCXPDWIIZMIY-UHFFFAOYSA-N
XLogP1.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-but-3-yn-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-but-3-yn-2-yl-4-(trifluoromethyl)benzamide
CID 114390042
N-(1-chloro-4-methylpentan-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106354916
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424
2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908315
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909242
N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109179578
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842
N-pent-4-ynyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113245115
(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid
CID 107144499
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908307

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide (CID 114389784) is N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide is C#CC(C)NC(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is VNMCXPDWIIZMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-3-7(2)16-10(17)9-5-4-8(6-15-9)11(12,13)14/h1,4-7H,2H3,(H,16,17).
What are the key properties of N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide?
N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 242.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 114389784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).