N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide

C16H11F3N6O — CID 88586574

IUPACN-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
SMILESCn1c(-c2ccncc2C(=O)NCC#N)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C16H11F3N6O/c1-25-13(10-2-4-21-8-11(10)15(26)22-5-3-20)24-12-6-9(16(17,18)19)7-23-14(12)25/h2,4,6-8H,5H2,1H3,(H,22,26)
InChIKeyRIJJEKKJFGBKQU-UHFFFAOYSA-N
MW360.30 g/mol
LogP2.30
Rot. Bonds3

About N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide

N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 88586574) has the molecular formula C16H11F3N6O and a molecular weight of 360.30 g/mol. Its IUPAC name is N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
PubChem CID88586574
Molecular FormulaC16H11F3N6O
Molecular Weight360.30 g/mol
Exact Mass360.09
IUPAC NameN-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
SMILESCn1c(-c2ccncc2C(=O)NCC#N)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C16H11F3N6O/c1-25-13(10-2-4-21-8-11(10)15(26)22-5-3-20)24-12-6-9(16(17,18)19)7-23-14(12)25/h2,4,6-8H,5H2,1H3,(H,22,26)
InChIKeyRIJJEKKJFGBKQU-UHFFFAOYSA-N
XLogP2.30
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-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

3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600622
2-(3-ethylsulfinyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600583
3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600646
3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66663269
methyl 3-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzoate
CID 144690968
2-(2-fluorophenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67981840
2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 118148715
3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzoyl chloride
CID 90382210
2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile
CID 171789668
[2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane
CID 137468253
2-ethyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-6-(trifluoromethyl)benzenethiol
CID 118035350
2-(3,6-dimethyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 149142899

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide (CID 88586574) is N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide is Cn1c(-c2ccncc2C(=O)NCC#N)nc2cc(C(F)(F)F)cnc21.
What is the InChIKey of N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The InChIKey is RIJJEKKJFGBKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O/c1-25-13(10-2-4-21-8-11(10)15(26)22-5-3-20)24-12-6-9(16(17,18)19)7-23-14(12)25/h2,4,6-8H,5H2,1H3,(H,22,26).
What are the key properties of N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 360.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 88586574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).