N-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide

C21H32FN3O6 — CID 146289288

IUPACN-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
SMILESCOC1CN(c2ccc(C(=O)NC(COCF)C(C)C)nc2OCC2(CO)COC2)C1
InChIInChI=1S/C21H32FN3O6/c1-14(2)17(8-29-13-22)23-19(27)16-4-5-18(25-6-15(7-25)28-3)20(24-16)31-12-21(9-26)10-30-11-21/h4-5,14-15,17,26H,6-13H2,1-3H3,(H,23,27)
InChIKeyXSGMEFBUIOLPAW-UHFFFAOYSA-N
MW441.50 g/mol
LogP1.00
Rot. Bonds12

About N-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide

N-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide (PubChem CID 146289288) has the molecular formula C21H32FN3O6 and a molecular weight of 441.50 g/mol. Its IUPAC name is N-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
PubChem CID146289288
Molecular FormulaC21H32FN3O6
Molecular Weight441.50 g/mol
Exact Mass441.23
IUPAC NameN-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
SMILESCOC1CN(c2ccc(C(=O)NC(COCF)C(C)C)nc2OCC2(CO)COC2)C1
InChIInChI=1S/C21H32FN3O6/c1-14(2)17(8-29-13-22)23-19(27)16-4-5-18(25-6-15(7-25)28-3)20(24-16)31-12-21(9-26)10-30-11-21/h4-5,14-15,17,26H,6-13H2,1-3H3,(H,23,27)
InChIKeyXSGMEFBUIOLPAW-UHFFFAOYSA-N
XLogP1.00
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide (CID 146289288) is N-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide is COC1CN(c2ccc(C(=O)NC(COCF)C(C)C)nc2OCC2(CO)COC2)C1.
What is the InChIKey of N-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?
The InChIKey is XSGMEFBUIOLPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O6/c1-14(2)17(8-29-13-22)23-19(27)16-4-5-18(25-6-15(7-25)28-3)20(24-16)31-12-21(9-26)10-30-11-21/h4-5,14-15,17,26H,6-13H2,1-3H3,(H,23,27).
What are the key properties of N-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?
N-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 1.00, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 146289288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).