1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one

C15H21F3N2O — CID 64755078

IUPAC1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one
SMILESCCCn1cc(NC2CCC(C(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C15H21F3N2O/c1-2-9-20-10-13(7-8-14(20)21)19-12-5-3-11(4-6-12)15(16,17)18/h7-8,10-12,19H,2-6,9H2,1H3
InChIKeyGVOHKINZHBQJIO-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.79
Rot. Bonds4

About 1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one

1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one (PubChem CID 64755078) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one
PubChem CID64755078
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one
SMILESCCCn1cc(NC2CCC(C(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C15H21F3N2O/c1-2-9-20-10-13(7-8-14(20)21)19-12-5-3-11(4-6-12)15(16,17)18/h7-8,10-12,19H,2-6,9H2,1H3
InChIKeyGVOHKINZHBQJIO-UHFFFAOYSA-N
XLogP3.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
The IUPAC name of 1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one (CID 64755078) is 1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one.
What is the SMILES notation for 1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
The canonical SMILES for 1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one is CCCn1cc(NC2CCC(C(F)(F)F)CC2)ccc1=O.
What is the InChIKey of 1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
The InChIKey is GVOHKINZHBQJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-2-9-20-10-13(7-8-14(20)21)19-12-5-3-11(4-6-12)15(16,17)18/h7-8,10-12,19H,2-6,9H2,1H3.
What are the key properties of 1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one has a molecular weight of 302.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one is sourced from PubChem (CID 64755078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).