1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one

C14H21F3N2O2 — CID 116534445

IUPAC1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one
SMILESCOCCn1cc(NC(C)CCCC(F)(F)F)ccc1=O
InChIInChI=1S/C14H21F3N2O2/c1-11(4-3-7-14(15,16)17)18-12-5-6-13(20)19(10-12)8-9-21-2/h5-6,10-11,18H,3-4,7-9H2,1-2H3
InChIKeyRMLYMZJOZDEHEB-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.03
Rot. Bonds8

About 1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one

1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one (PubChem CID 116534445) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one
PubChem CID116534445
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one
SMILESCOCCn1cc(NC(C)CCCC(F)(F)F)ccc1=O
InChIInChI=1S/C14H21F3N2O2/c1-11(4-3-7-14(15,16)17)18-12-5-6-13(20)19(10-12)8-9-21-2/h5-6,10-11,18H,3-4,7-9H2,1-2H3
InChIKeyRMLYMZJOZDEHEB-UHFFFAOYSA-N
XLogP3.03
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide
CID 173118295
2,2,2-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]acetamide
CID 62733372
5-Amino-1-(2-(trifluoromethoxy)ethyl)pyridin-2(1h)-one
CID 65803656
1-(2,2-Difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea
CID 71914844
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958114
1-[5-(Propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one
CID 81308559
1-[2-(Heptan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310307
1-[2-(2-Butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310932
1-[5-(Ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318584
1-[2-(2-Methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318594
1-[2-(1-Methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318595
1-(4-Amino-3-ethoxybutyl)-6-(trifluoromethyl)pyridin-2-one
CID 81318675

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one (CID 116534445) is 1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one is COCCn1cc(NC(C)CCCC(F)(F)F)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one?
The InChIKey is RMLYMZJOZDEHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-11(4-3-7-14(15,16)17)18-12-5-6-13(20)19(10-12)8-9-21-2/h5-6,10-11,18H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one?
1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one has a molecular weight of 306.33 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-(6,6,6-trifluorohexan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 116534445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).