6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol

C22H26F4N4O3 — CID 167512099

IUPAC6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol
SMILESCNC(=O)c1cnc(N)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1.OCC1CCCCC1
InChIInChI=1S/C15H12F4N4O2.C7H14O/c1-21-13(24)8-4-11(12(20)22-6-8)23-14(25)7-2-9(15(17,18)19)5-10(16)3-7;8-6-7-4-2-1-3-5-7/h2-6H,1H3,(H2,20,22)(H,21,24)(H,23,25);7-8H,1-6H2
InChIKeyACKKCEBLONIJNV-UHFFFAOYSA-N
MW470.47 g/mol
LogP3.99
Rot. Bonds4

About 6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol

6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol (PubChem CID 167512099) has the molecular formula C22H26F4N4O3 and a molecular weight of 470.47 g/mol. Its IUPAC name is 6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol.

Molecular Properties

Compound Name6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol
PubChem CID167512099
Molecular FormulaC22H26F4N4O3
Molecular Weight470.47 g/mol
Exact Mass470.19
IUPAC Name6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol
SMILESCNC(=O)c1cnc(N)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1.OCC1CCCCC1
InChIInChI=1S/C15H12F4N4O2.C7H14O/c1-21-13(24)8-4-11(12(20)22-6-8)23-14(25)7-2-9(15(17,18)19)5-10(16)3-7;8-6-7-4-2-1-3-5-7/h2-6H,1H3,(H2,20,22)(H,21,24)(H,23,25);7-8H,1-6H2
InChIKeyACKKCEBLONIJNV-UHFFFAOYSA-N
XLogP3.99
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridine-3-carboxamide
CID 176510360
6-(2-cyanoethylamino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide
CID 167512030
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-[(2-methyl-4-pyridinyl)amino]pyridine-3-carboxamide
CID 167512571
6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide
CID 167512453
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide
CID 167512180
N-[3-(cyclohexylmethyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176619725
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 167512267
N-[(3S)-3-(cyclopentylmethyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176620032
N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 137353811
3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 99849672
N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide
CID 3977040
N-(1-cyclohexyl-3-oxo-2H-indazol-7-yl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822040

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol?
The IUPAC name of 6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol (CID 167512099) is 6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol.
What is the SMILES notation for 6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol?
The canonical SMILES for 6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol is CNC(=O)c1cnc(N)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1.OCC1CCCCC1.
What is the InChIKey of 6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol?
The InChIKey is ACKKCEBLONIJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N4O2.C7H14O/c1-21-13(24)8-4-11(12(20)22-6-8)23-14(25)7-2-9(15(17,18)19)5-10(16)3-7;8-6-7-4-2-1-3-5-7/h2-6H,1H3,(H2,20,22)(H,21,24)(H,23,25);7-8H,1-6H2.
What are the key properties of 6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol?
6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol has a molecular weight of 470.47 g/mol, XLogP of 3.99, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol is sourced from PubChem (CID 167512099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).