tert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate

C23H29FN4O5 — CID 69183193

IUPACtert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate
SMILESCOc1ccc2ncc(F)c(C=CC3CC(C)C(NC(=O)OC(C)(C)C)C(C(N)=O)O3)c2n1
InChIInChI=1S/C23H29FN4O5/c1-12-10-13(32-20(21(25)29)18(12)28-22(30)33-23(2,3)4)6-7-14-15(24)11-26-16-8-9-17(31-5)27-19(14)16/h6-9,11-13,18,20H,10H2,1-5H3,(H2,25,29)(H,28,30)
InChIKeyVFQOXGMNIMQNQV-UHFFFAOYSA-N
MW460.51 g/mol
LogP2.96
Rot. Bonds5

About tert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate

tert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate (PubChem CID 69183193) has the molecular formula C23H29FN4O5 and a molecular weight of 460.51 g/mol. Its IUPAC name is tert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate
PubChem CID69183193
Molecular FormulaC23H29FN4O5
Molecular Weight460.51 g/mol
Exact Mass460.21
IUPAC Nametert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate
SMILESCOc1ccc2ncc(F)c(C=CC3CC(C)C(NC(=O)OC(C)(C)C)C(C(N)=O)O3)c2n1
InChIInChI=1S/C23H29FN4O5/c1-12-10-13(32-20(21(25)29)18(12)28-22(30)33-23(2,3)4)6-7-14-15(24)11-26-16-8-9-17(31-5)27-19(14)16/h6-9,11-13,18,20H,10H2,1-5H3,(H2,25,29)(H,28,30)
InChIKeyVFQOXGMNIMQNQV-UHFFFAOYSA-N
XLogP2.96
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate (CID 69183193) is tert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate is COc1ccc2ncc(F)c(C=CC3CC(C)C(NC(=O)OC(C)(C)C)C(C(N)=O)O3)c2n1.
What is the InChIKey of tert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate?
The InChIKey is VFQOXGMNIMQNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O5/c1-12-10-13(32-20(21(25)29)18(12)28-22(30)33-23(2,3)4)6-7-14-15(24)11-26-16-8-9-17(31-5)27-19(14)16/h6-9,11-13,18,20H,10H2,1-5H3,(H2,25,29)(H,28,30).
What are the key properties of tert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate?
tert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate has a molecular weight of 460.51 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-carbamoyl-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-4-methyloxan-3-yl]carbamate is sourced from PubChem (CID 69183193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).