N-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide

C25H28F3N3O2 — CID 53341066

IUPACN-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ncc(C(F)(F)F)cc1C(=O)NC1CCC(CN2C(=O)C(C)(C)c3ccccc32)CC1
InChIInChI=1S/C25H28F3N3O2/c1-15-19(12-17(13-29-15)25(26,27)28)22(32)30-18-10-8-16(9-11-18)14-31-21-7-5-4-6-20(21)24(2,3)23(31)33/h4-7,12-13,16,18H,8-11,14H2,1-3H3,(H,30,32)
InChIKeyZJJNZJXUXNWWGA-UHFFFAOYSA-N
MW459.51 g/mol
LogP5.02
Rot. Bonds4

About N-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide

N-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 53341066) has the molecular formula C25H28F3N3O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID53341066
Molecular FormulaC25H28F3N3O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC NameN-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ncc(C(F)(F)F)cc1C(=O)NC1CCC(CN2C(=O)C(C)(C)c3ccccc32)CC1
InChIInChI=1S/C25H28F3N3O2/c1-15-19(12-17(13-29-15)25(26,27)28)22(32)30-18-10-8-16(9-11-18)14-31-21-7-5-4-6-20(21)24(2,3)23(31)33/h4-7,12-13,16,18H,8-11,14H2,1-3H3,(H,30,32)
InChIKeyZJJNZJXUXNWWGA-UHFFFAOYSA-N
XLogP5.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide (CID 53341066) is N-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide is Cc1ncc(C(F)(F)F)cc1C(=O)NC1CCC(CN2C(=O)C(C)(C)c3ccccc32)CC1.
What is the InChIKey of N-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZJJNZJXUXNWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O2/c1-15-19(12-17(13-29-15)25(26,27)28)22(32)30-18-10-8-16(9-11-18)14-31-21-7-5-4-6-20(21)24(2,3)23(31)33/h4-7,12-13,16,18H,8-11,14H2,1-3H3,(H,30,32).
What are the key properties of N-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 53341066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).