3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide

C23H28F2N2O5 — CID 166159979

IUPAC3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(CO)nc2)O1.Fc1cccc(OCC2CCOC2)c1F
InChIInChI=1S/C12H16N2O3.C11H12F2O2/c1-8-2-5-11(17-8)12(16)14-9-3-4-10(7-15)13-6-9;12-9-2-1-3-10(11(9)13)15-7-8-4-5-14-6-8/h3-4,6,8,11,15H,2,5,7H2,1H3,(H,14,16);1-3,8H,4-7H2
InChIKeyGUSINNPNKNYEEQ-UHFFFAOYSA-N
MW450.48 g/mol
LogP3.46
Rot. Bonds6

About 3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide

3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide (PubChem CID 166159979) has the molecular formula C23H28F2N2O5 and a molecular weight of 450.48 g/mol. Its IUPAC name is 3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
PubChem CID166159979
Molecular FormulaC23H28F2N2O5
Molecular Weight450.48 g/mol
Exact Mass450.20
IUPAC Name3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(CO)nc2)O1.Fc1cccc(OCC2CCOC2)c1F
InChIInChI=1S/C12H16N2O3.C11H12F2O2/c1-8-2-5-11(17-8)12(16)14-9-3-4-10(7-15)13-6-9;12-9-2-1-3-10(11(9)13)15-7-8-4-5-14-6-8/h3-4,6,8,11,15H,2,5,7H2,1H3,(H,14,16);1-3,8H,4-7H2
InChIKeyGUSINNPNKNYEEQ-UHFFFAOYSA-N
XLogP3.46
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide with MolForge

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Related Compounds

5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide
CID 166161188
(2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166159129
1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide
CID 166160830
1,2-difluoro-3-methoxybenzene;N-[2-(hydroxymethyl)-3-methylimidazol-4-yl]-5-methyloxolane-2-carboxamide
CID 166160892
1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide
CID 166160438
1-(cyclopropylmethoxy)-2-fluoro-3-methoxybenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159794
3-[(2,3-difluorophenoxy)methyl]-3-fluorooxetane;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159913
1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide
CID 166160281
1,2-difluoro-3-methoxybenzene;5-methyl-N-[2-(methylamino)-4-pyridinyl]oxolane-2-carboxamide
CID 166161077
N-(3H-benzimidazol-5-yl)-5-methyloxolane-2-carboxamide;1,2-difluoro-3-methoxybenzene
CID 166160168
1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
CID 177358357
5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159394

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of 3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide (CID 166159979) is 3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for 3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for 3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2ccc(CO)nc2)O1.Fc1cccc(OCC2CCOC2)c1F.
What is the InChIKey of 3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide?
The InChIKey is GUSINNPNKNYEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3.C11H12F2O2/c1-8-2-5-11(17-8)12(16)14-9-3-4-10(7-15)13-6-9;12-9-2-1-3-10(11(9)13)15-7-8-4-5-14-6-8/h3-4,6,8,11,15H,2,5,7H2,1H3,(H,14,16);1-3,8H,4-7H2.
What are the key properties of 3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide?
3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide has a molecular weight of 450.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 166159979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).