N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene

C20H23F3N2O4 — CID 166158899

IUPACN-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene
SMILESCC1CCC(C(=O)Nc2ccc(CO)nc2)O1.COc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16N2O3.C8H7F3O/c1-8-2-5-11(17-8)12(16)14-9-3-4-10(7-15)13-6-9;1-12-7-5-3-2-4-6(7)8(9,10)11/h3-4,6,8,11,15H,2,5,7H2,1H3,(H,14,16);2-5H,1H3
InChIKeyIMUZBYQEGAQDAY-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.79
Rot. Bonds4

About N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene

N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene (PubChem CID 166158899) has the molecular formula C20H23F3N2O4 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene.

Molecular Properties

Compound NameN-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene
PubChem CID166158899
Molecular FormulaC20H23F3N2O4
Molecular Weight412.41 g/mol
Exact Mass412.16
IUPAC NameN-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene
SMILESCC1CCC(C(=O)Nc2ccc(CO)nc2)O1.COc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16N2O3.C8H7F3O/c1-8-2-5-11(17-8)12(16)14-9-3-4-10(7-15)13-6-9;1-12-7-5-3-2-4-6(7)8(9,10)11/h3-4,6,8,11,15H,2,5,7H2,1H3,(H,14,16);2-5H,1H3
InChIKeyIMUZBYQEGAQDAY-UHFFFAOYSA-N
XLogP3.79
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-N-3-pyridinylpropanamide
CID 2977750
2-(2-methylphenoxy)-N-pyridin-3-ylacetamide
CID 747195
Sodium Channel inhibitor 6
CID 166158894
2-(2,5-dimethylphenoxy)-N-(pyridin-3-yl)propanamide
CID 17650849
N-(pyridin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 75414453
2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide
CID 155561495
US20260055088, Example 3
CID 166161229
US20260055088, Example 38
CID 170959219
US20260055088, Example 20
CID 170959228
US20260055088, Example 21
CID 170959231
US20260055088, Example 6-1
CID 170959240
US20260055088, Example 16
CID 178422889

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene?
The IUPAC name of N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene (CID 166158899) is N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene.
What is the SMILES notation for N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene?
The canonical SMILES for N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene is CC1CCC(C(=O)Nc2ccc(CO)nc2)O1.COc1ccccc1C(F)(F)F.
What is the InChIKey of N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene?
The InChIKey is IMUZBYQEGAQDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3.C8H7F3O/c1-8-2-5-11(17-8)12(16)14-9-3-4-10(7-15)13-6-9;1-12-7-5-3-2-4-6(7)8(9,10)11/h3-4,6,8,11,15H,2,5,7H2,1H3,(H,14,16);2-5H,1H3.
What are the key properties of N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene?
N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene has a molecular weight of 412.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide;1-methoxy-2-(trifluoromethyl)benzene is sourced from PubChem (CID 166158899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).