1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one

C14H19F3N2O2 — CID 63280129

IUPAC1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCC(NCCn1cc(C(F)(F)F)ccc1=O)C1CCCO1
InChIInChI=1S/C14H19F3N2O2/c1-10(12-3-2-8-21-12)18-6-7-19-9-11(14(15,16)17)4-5-13(19)20/h4-5,9-10,12,18H,2-3,6-8H2,1H3
InChIKeyVYQPNGUBAVHGOP-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.02
Rot. Bonds5

About 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63280129) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63280129
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCC(NCCn1cc(C(F)(F)F)ccc1=O)C1CCCO1
InChIInChI=1S/C14H19F3N2O2/c1-10(12-3-2-8-21-12)18-6-7-19-9-11(14(15,16)17)4-5-13(19)20/h4-5,9-10,12,18H,2-3,6-8H2,1H3
InChIKeyVYQPNGUBAVHGOP-UHFFFAOYSA-N
XLogP2.02
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 16252366
N-[1-(oxolan-2-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45812380
1-methyl-6-oxo-N-[1-(oxolan-2-yl)propyl]pyridine-3-carboxamide
CID 71909373
N-[[(2R)-oxolan-2-yl]methyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]acetamide
CID 164637207
N-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7633522
N-[[(2R)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7633526
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 35233902
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 35233907
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 35233912
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 35233917
N'-[1-(oxolan-2-yl)ethyl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
CID 53572640
1-[2-(Oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280433

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 63280129) is 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one is CC(NCCn1cc(C(F)(F)F)ccc1=O)C1CCCO1.
What is the InChIKey of 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is VYQPNGUBAVHGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-10(12-3-2-8-21-12)18-6-7-19-9-11(14(15,16)17)4-5-13(19)20/h4-5,9-10,12,18H,2-3,6-8H2,1H3.
What are the key properties of 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 304.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63280129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).