N-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide

C21H19FN2O4 — CID 153496105

IUPACN-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)c2c(OCC3COCCO3)cccc2c1)c1ccccn1
InChIInChI=1S/C21H19FN2O4/c22-17-11-15(24-21(25)18-5-1-2-7-23-18)10-14-4-3-6-19(20(14)17)28-13-16-12-26-8-9-27-16/h1-7,10-11,16H,8-9,12-13H2,(H,24,25)
InChIKeyMUYSDPLOQKYHHV-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.42
Rot. Bonds5

About N-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide

N-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide (PubChem CID 153496105) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide
PubChem CID153496105
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)c2c(OCC3COCCO3)cccc2c1)c1ccccn1
InChIInChI=1S/C21H19FN2O4/c22-17-11-15(24-21(25)18-5-1-2-7-23-18)10-14-4-3-6-19(20(14)17)28-13-16-12-26-8-9-27-16/h1-7,10-11,16H,8-9,12-13H2,(H,24,25)
InChIKeyMUYSDPLOQKYHHV-UHFFFAOYSA-N
XLogP3.42
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide (CID 153496105) is N-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide is O=C(Nc1cc(F)c2c(OCC3COCCO3)cccc2c1)c1ccccn1.
What is the InChIKey of N-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide?
The InChIKey is MUYSDPLOQKYHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c22-17-11-15(24-21(25)18-5-1-2-7-23-18)10-14-4-3-6-19(20(14)17)28-13-16-12-26-8-9-27-16/h1-7,10-11,16H,8-9,12-13H2,(H,24,25).
What are the key properties of N-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide?
N-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,4-dioxan-2-ylmethoxy)-4-fluoronaphthalen-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 153496105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).