2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide

C19H19F4N3O — CID 130473393

IUPAC2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C19H19F4N3O/c20-14-9-13(10-24-11-14)15-6-7-16(18(26-15)19(21,22)23)25-17(27)8-12-4-2-1-3-5-12/h6-7,9-12H,1-5,8H2,(H,25,27)
InChIKeyJVIZAACSWDKJRF-UHFFFAOYSA-N
MW381.37 g/mol
LogP5.21
Rot. Bonds4

About 2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide

2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 130473393) has the molecular formula C19H19F4N3O and a molecular weight of 381.37 g/mol. Its IUPAC name is 2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID130473393
Molecular FormulaC19H19F4N3O
Molecular Weight381.37 g/mol
Exact Mass381.15
IUPAC Name2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C19H19F4N3O/c20-14-9-13(10-24-11-14)15-6-7-16(18(26-15)19(21,22)23)25-17(27)8-12-4-2-1-3-5-12/h6-7,9-12H,1-5,8H2,(H,25,27)
InChIKeyJVIZAACSWDKJRF-UHFFFAOYSA-N
XLogP5.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.37
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473225
3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 130473001
cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 130471307
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide
CID 130473217
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide
CID 130472965
1-(2,2-dimethylpropyl)-3-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]urea
CID 130471303
N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 145373033
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
CID 130471345
3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide
CID 142547382
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
CID 18673988
4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide (CID 130473393) is 2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide is O=C(CC1CCCCC1)Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F.
What is the InChIKey of 2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is JVIZAACSWDKJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O/c20-14-9-13(10-24-11-14)15-6-7-16(18(26-15)19(21,22)23)25-17(27)8-12-4-2-1-3-5-12/h6-7,9-12H,1-5,8H2,(H,25,27).
What are the key properties of 2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide?
2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 381.37 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 130473393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).