N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide

C23H26F3N3O2 — CID 3216357

IUPACN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide
SMILESCCc1ccc(N(C(=O)C(F)(F)F)C(C(=O)NC2CCCCC2)c2ccncc2)cc1
InChIInChI=1S/C23H26F3N3O2/c1-2-16-8-10-19(11-9-16)29(22(31)23(24,25)26)20(17-12-14-27-15-13-17)21(30)28-18-6-4-3-5-7-18/h8-15,18,20H,2-7H2,1H3,(H,28,30)
InChIKeyKEVHQPNOBYTYJQ-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.73
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide

N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 3216357) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide
PubChem CID3216357
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide
SMILESCCc1ccc(N(C(=O)C(F)(F)F)C(C(=O)NC2CCCCC2)c2ccncc2)cc1
InChIInChI=1S/C23H26F3N3O2/c1-2-16-8-10-19(11-9-16)29(22(31)23(24,25)26)20(17-12-14-27-15-13-17)21(30)28-18-6-4-3-5-7-18/h8-15,18,20H,2-7H2,1H3,(H,28,30)
InChIKeyKEVHQPNOBYTYJQ-UHFFFAOYSA-N
XLogP4.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.73
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]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide (CID 3216357) is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide is CCc1ccc(N(C(=O)C(F)(F)F)C(C(=O)NC2CCCCC2)c2ccncc2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is KEVHQPNOBYTYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-2-16-8-10-19(11-9-16)29(22(31)23(24,25)26)20(17-12-14-27-15-13-17)21(30)28-18-6-4-3-5-7-18/h8-15,18,20H,2-7H2,1H3,(H,28,30).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide?
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 433.47 g/mol, XLogP of 4.73, 6 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]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 3216357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).