1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one

C15H21F3N2O — CID 81310306

IUPAC1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCCNC1CCCCC1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)13-8-4-9-14(21)20(13)11-5-10-19-12-6-2-1-3-7-12/h4,8-9,12,19H,1-3,5-7,10-11H2
InChIKeyDAYZEURDSQDPML-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.18
Rot. Bonds5

About 1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one

1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81310306) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81310306
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCCNC1CCCCC1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)13-8-4-9-14(21)20(13)11-5-10-19-12-6-2-1-3-7-12/h4,8-9,12,19H,1-3,5-7,10-11H2
InChIKeyDAYZEURDSQDPML-UHFFFAOYSA-N
XLogP3.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one (CID 81310306) is 1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one is O=c1cccc(C(F)(F)F)n1CCCNC1CCCCC1.
What is the InChIKey of 1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is DAYZEURDSQDPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c16-15(17,18)13-8-4-9-14(21)20(13)11-5-10-19-12-6-2-1-3-7-12/h4,8-9,12,19H,1-3,5-7,10-11H2.
What are the key properties of 1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one?
1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 302.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylamino)propyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81310306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).