N-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

C22H22F3N3O3 — CID 155449209

IUPACN-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cccc(C(F)(F)F)n1)CN(C1CCCCC1)C2=O
InChIInChI=1S/C22H22F3N3O3/c1-31-18-11-15-13(12-28(21(15)30)14-6-3-2-4-7-14)10-17(18)27-20(29)16-8-5-9-19(26-16)22(23,24)25/h5,8-11,14H,2-4,6-7,12H2,1H3,(H,27,29)
InChIKeyPMLARONXHNCVAV-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.65
Rot. Bonds4

About N-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

N-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155449209) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155449209
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC NameN-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cccc(C(F)(F)F)n1)CN(C1CCCCC1)C2=O
InChIInChI=1S/C22H22F3N3O3/c1-31-18-11-15-13(12-28(21(15)30)14-6-3-2-4-7-14)10-17(18)27-20(29)16-8-5-9-19(26-16)22(23,24)25/h5,8-11,14H,2-4,6-7,12H2,1H3,(H,27,29)
InChIKeyPMLARONXHNCVAV-UHFFFAOYSA-N
XLogP4.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylcyclohexyl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448799
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448915
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;methanol
CID 155751757
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448588
methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 154970408
N-[2-[4-[(dimethylamino)methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163814713
N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 170032243
N-[2-(2-iodoethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164568000
N-[2-(2-hydroxyethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 129283862

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155449209) is N-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2c(cc1NC(=O)c1cccc(C(F)(F)F)n1)CN(C1CCCCC1)C2=O.
What is the InChIKey of N-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is PMLARONXHNCVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-31-18-11-15-13(12-28(21(15)30)14-6-3-2-4-7-14)10-17(18)27-20(29)16-8-5-9-19(26-16)22(23,24)25/h5,8-11,14H,2-4,6-7,12H2,1H3,(H,27,29).
What are the key properties of N-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
N-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155449209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).