tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate

C23H22N4O4 — CID 46900747

About tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate

tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate (PubChem CID 46900747) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate
• PubChem CID: 46900747
• Molecular Formula: C23H22N4O4
• Molecular Weight: 418.45 g/mol
• Exact Mass: 418.16
• IUPAC Name: tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate
• SMILES: Cc1nc2c(Oc3ccc(NC(=O)OC(C)(C)C)c4ccccc34)ccnc2[nH]c1=O
• InChI: InChI=1S/C23H22N4O4/c1-13-21(28)27-20-19(25-13)18(11-12-24-20)30-17-10-9-16(14-7-5-6-8-15(14)17)26-22(29)31-23(2,3)4/h5-12H,1-4H3,(H,26,29)(H,24,27,28)
• InChIKey: MJWGFBPTEXZOOZ-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.45
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate?

The IUPAC name of tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate (CID 46900747) is tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate.

What is the SMILES notation for tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate?

The canonical SMILES for tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate is Cc1nc2c(Oc3ccc(NC(=O)OC(C)(C)C)c4ccccc34)ccnc2[nH]c1=O.

What is the InChIKey of tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate?

The InChIKey is MJWGFBPTEXZOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-13-21(28)27-20-19(25-13)18(11-12-24-20)30-17-10-9-16(14-7-5-6-8-15(14)17)26-22(29)31-23(2,3)4/h5-12H,1-4H3,(H,26,29)(H,24,27,28).

What are the key properties of tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate?

tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate has a molecular weight of 418.45 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate is sourced from PubChem (CID 46900747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).