1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C16H20F3N3O3 — CID 17444493

IUPAC1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CCCCC1NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C16H20F3N3O3/c1-9-4-2-3-5-11(9)21-13(23)8-22-12(16(17,18)19)7-6-10(14(20)24)15(22)25/h6-7,9,11H,2-5,8H2,1H3,(H2,20,24)(H,21,23)
InChIKeyHXBUZIJXHJDHRC-UHFFFAOYSA-N
MW359.35 g/mol
LogP1.66
Rot. Bonds4

About 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 17444493) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID17444493
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Name1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CCCCC1NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C16H20F3N3O3/c1-9-4-2-3-5-11(9)21-13(23)8-22-12(16(17,18)19)7-6-10(14(20)24)15(22)25/h6-7,9,11H,2-5,8H2,1H3,(H2,20,24)(H,21,23)
InChIKeyHXBUZIJXHJDHRC-UHFFFAOYSA-N
XLogP1.66
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 17444493) is 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is CC1CCCCC1NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O.
What is the InChIKey of 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HXBUZIJXHJDHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O3/c1-9-4-2-3-5-11(9)21-13(23)8-22-12(16(17,18)19)7-6-10(14(20)24)15(22)25/h6-7,9,11H,2-5,8H2,1H3,(H2,20,24)(H,21,23).
What are the key properties of 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 17444493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).