N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide

C18H24F3N3O2 — CID 3216344

IUPACN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccncc1
InChIInChI=1S/C18H24F3N3O2/c1-12(2)24(17(26)18(19,20)21)15(13-8-10-22-11-9-13)16(25)23-14-6-4-3-5-7-14/h8-12,14-15H,3-7H2,1-2H3,(H,23,25)
InChIKeySDXJXJQQOHBQKW-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.37
Rot. Bonds5

About N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide

N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide (PubChem CID 3216344) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide
PubChem CID3216344
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccncc1
InChIInChI=1S/C18H24F3N3O2/c1-12(2)24(17(26)18(19,20)21)15(13-8-10-22-11-9-13)16(25)23-14-6-4-3-5-7-14/h8-12,14-15H,3-7H2,1-2H3,(H,23,25)
InChIKeySDXJXJQQOHBQKW-UHFFFAOYSA-N
XLogP3.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide (CID 3216344) is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide is CC(C)N(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccncc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide?
The InChIKey is SDXJXJQQOHBQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-12(2)24(17(26)18(19,20)21)15(13-8-10-22-11-9-13)16(25)23-14-6-4-3-5-7-14/h8-12,14-15H,3-7H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide?
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide has a molecular weight of 371.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide is sourced from PubChem (CID 3216344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).