N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide

C16H12F4N4O — CID 130472987

IUPACN-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCCC(=O)N(CC#N)c1ccc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C16H12F4N4O/c1-2-14(25)24(6-5-21)13-4-3-12(23-15(13)16(18,19)20)10-7-11(17)9-22-8-10/h3-4,7-9H,2,6H2,1H3
InChIKeyUAWYKADQLSNRAY-UHFFFAOYSA-N
MW352.29 g/mol
LogP3.57
Rot. Bonds4

About N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide

N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 130472987) has the molecular formula C16H12F4N4O and a molecular weight of 352.29 g/mol. Its IUPAC name is N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID130472987
Molecular FormulaC16H12F4N4O
Molecular Weight352.29 g/mol
Exact Mass352.09
IUPAC NameN-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCCC(=O)N(CC#N)c1ccc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C16H12F4N4O/c1-2-14(25)24(6-5-21)13-4-3-12(23-15(13)16(18,19)20)10-7-11(17)9-22-8-10/h3-4,7-9H,2,6H2,1H3
InChIKeyUAWYKADQLSNRAY-UHFFFAOYSA-N
XLogP3.57
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide 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-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide
CID 130473130
6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine
CID 130453759
(2,4-difluorophenyl)methyl-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamic acid
CID 166726351
N-(cyanomethyl)-N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropanecarboxamide
CID 142547384
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide
CID 130473224
tert-butyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-N-methylcarbamate;3-ethyl-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridine
CID 158238408
2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473225
3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 130473001
1-(2,2-dimethylpropyl)-3-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]urea
CID 130471303
(E)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]but-2-enamide
CID 130472969
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide
CID 130472965
2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473393

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide (CID 130472987) is N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide is CCC(=O)N(CC#N)c1ccc(-c2cncc(F)c2)nc1C(F)(F)F.
What is the InChIKey of N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is UAWYKADQLSNRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O/c1-2-14(25)24(6-5-21)13-4-3-12(23-15(13)16(18,19)20)10-7-11(17)9-22-8-10/h3-4,7-9H,2,6H2,1H3.
What are the key properties of N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide?
N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 352.29 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 130472987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).