N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide

C23H25F3N4O — CID 163399527

IUPACN-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(Nc3cc(C)c(C#N)c(C(F)(F)F)c3)CC2)cc(C)n1
InChIInChI=1S/C23H25F3N4O/c1-13-8-19(11-21(20(13)12-27)23(24,25)26)29-17-4-6-18(7-5-17)30-22(31)16-9-14(2)28-15(3)10-16/h8-11,17-18,29H,4-7H2,1-3H3,(H,30,31)
InChIKeyYKUBZXDLNCKXGB-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.05
Rot. Bonds4

About N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide

N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide (PubChem CID 163399527) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide
PubChem CID163399527
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC NameN-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(Nc3cc(C)c(C#N)c(C(F)(F)F)c3)CC2)cc(C)n1
InChIInChI=1S/C23H25F3N4O/c1-13-8-19(11-21(20(13)12-27)23(24,25)26)29-17-4-6-18(7-5-17)30-22(31)16-9-14(2)28-15(3)10-16/h8-11,17-18,29H,4-7H2,1-3H3,(H,30,31)
InChIKeyYKUBZXDLNCKXGB-UHFFFAOYSA-N
XLogP5.05
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide?
The IUPAC name of N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide (CID 163399527) is N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide?
The canonical SMILES for N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide is Cc1cc(C(=O)NC2CCC(Nc3cc(C)c(C#N)c(C(F)(F)F)c3)CC2)cc(C)n1.
What is the InChIKey of N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide?
The InChIKey is YKUBZXDLNCKXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-13-8-19(11-21(20(13)12-27)23(24,25)26)29-17-4-6-18(7-5-17)30-22(31)16-9-14(2)28-15(3)10-16/h8-11,17-18,29H,4-7H2,1-3H3,(H,30,31).
What are the key properties of N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide?
N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 163399527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).