5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide

C20H29F3N4O3 — CID 174378358

IUPAC5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide
SMILESCN(CCC1(C)CCC(NCC(=O)NCC(F)(F)F)CC1)C(=O)c1cncc(O)c1
InChIInChI=1S/C20H29F3N4O3/c1-19(7-8-27(2)18(30)14-9-16(28)11-24-10-14)5-3-15(4-6-19)25-12-17(29)26-13-20(21,22)23/h9-11,15,25,28H,3-8,12-13H2,1-2H3,(H,26,29)
InChIKeyWKCUFAULUTULPT-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.47
Rot. Bonds8

About 5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide

5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide (PubChem CID 174378358) has the molecular formula C20H29F3N4O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide
PubChem CID174378358
Molecular FormulaC20H29F3N4O3
Molecular Weight430.47 g/mol
Exact Mass430.22
IUPAC Name5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide
SMILESCN(CCC1(C)CCC(NCC(=O)NCC(F)(F)F)CC1)C(=O)c1cncc(O)c1
InChIInChI=1S/C20H29F3N4O3/c1-19(7-8-27(2)18(30)14-9-16(28)11-24-10-14)5-3-15(4-6-19)25-12-17(29)26-13-20(21,22)23/h9-11,15,25,28H,3-8,12-13H2,1-2H3,(H,26,29)
InChIKeyWKCUFAULUTULPT-UHFFFAOYSA-N
XLogP2.47
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]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 5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide (CID 174378358) is 5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide is CN(CCC1(C)CCC(NCC(=O)NCC(F)(F)F)CC1)C(=O)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide?
The InChIKey is WKCUFAULUTULPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N4O3/c1-19(7-8-27(2)18(30)14-9-16(28)11-24-10-14)5-3-15(4-6-19)25-12-17(29)26-13-20(21,22)23/h9-11,15,25,28H,3-8,12-13H2,1-2H3,(H,26,29).
What are the key properties of 5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide?
5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methyl-N-[2-[1-methyl-4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 174378358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).