1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one

C14H19F3N2O — CID 63280128

IUPAC1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCNCC1CCCC1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)12-5-6-13(20)19(10-12)8-7-18-9-11-3-1-2-4-11/h5-6,10-11,18H,1-4,7-9H2
InChIKeyFAAZXUOHHLDATK-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.65
Rot. Bonds5

About 1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63280128) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63280128
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCNCC1CCCC1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)12-5-6-13(20)19(10-12)8-7-18-9-11-3-1-2-4-11/h5-6,10-11,18H,1-4,7-9H2
InChIKeyFAAZXUOHHLDATK-UHFFFAOYSA-N
XLogP2.65
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.65
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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Related Compounds

5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one
CID 62563342
1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280433
1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 60585635
1-(2-bromoethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279616
1-[2-(2-thiophen-3-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280215
1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279700
1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279960
1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63280381
methyl 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoate
CID 55026654
1-[4-(propan-2-ylamino)butyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279830
1-(3-bromopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279615
N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 99779157

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 63280128) is 1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1CCNCC1CCCC1.
What is the InChIKey of 1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is FAAZXUOHHLDATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)12-5-6-13(20)19(10-12)8-7-18-9-11-3-1-2-4-11/h5-6,10-11,18H,1-4,7-9H2.
What are the key properties of 1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 288.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63280128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).