1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C20H28F3N3O3 — CID 17473029

IUPAC1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)CC1
InChIInChI=1S/C20H28F3N3O3/c1-4-19(2,3)12-5-7-13(8-6-12)25-16(27)11-26-15(20(21,22)23)10-9-14(17(24)28)18(26)29/h9-10,12-13H,4-8,11H2,1-3H3,(H2,24,28)(H,25,27)
InChIKeyVQCJXUXXEYBGPX-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.08
Rot. Bonds6

About 1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 17473029) has the molecular formula C20H28F3N3O3 and a molecular weight of 415.46 g/mol. Its IUPAC name is 1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID17473029
Molecular FormulaC20H28F3N3O3
Molecular Weight415.46 g/mol
Exact Mass415.21
IUPAC Name1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)CC1
InChIInChI=1S/C20H28F3N3O3/c1-4-19(2,3)12-5-7-13(8-6-12)25-16(27)11-26-15(20(21,22)23)10-9-14(17(24)28)18(26)29/h9-10,12-13H,4-8,11H2,1-3H3,(H2,24,28)(H,25,27)
InChIKeyVQCJXUXXEYBGPX-UHFFFAOYSA-N
XLogP3.08
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 17473029) is 1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is CCC(C)(C)C1CCC(NC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)CC1.
What is the InChIKey of 1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VQCJXUXXEYBGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O3/c1-4-19(2,3)12-5-7-13(8-6-12)25-16(27)11-26-15(20(21,22)23)10-9-14(17(24)28)18(26)29/h9-10,12-13H,4-8,11H2,1-3H3,(H2,24,28)(H,25,27).
What are the key properties of 1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 17473029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).