tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate

C20H26N6O3 — CID 130201475

IUPACtert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cnc3ncc(C#N)cc32)CC1
InChIInChI=1S/C20H26N6O3/c1-20(2,3)29-19(28)24-15-4-6-25(7-5-15)8-9-26-16-10-14(11-21)12-22-18(16)23-13-17(26)27/h10,12-13,15H,4-9H2,1-3H3,(H,24,28)
InChIKeyOTWHKCJIYVGXSX-UHFFFAOYSA-N
MW398.47 g/mol
LogP1.65
Rot. Bonds4

About tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate (PubChem CID 130201475) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate
PubChem CID130201475
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Nametert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cnc3ncc(C#N)cc32)CC1
InChIInChI=1S/C20H26N6O3/c1-20(2,3)29-19(28)24-15-4-6-25(7-5-15)8-9-26-16-10-14(11-21)12-22-18(16)23-13-17(26)27/h10,12-13,15H,4-9H2,1-3H3,(H,24,28)
InChIKeyOTWHKCJIYVGXSX-UHFFFAOYSA-N
XLogP1.65
TPSA113.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate (CID 130201475) is tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cnc3ncc(C#N)cc32)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate?
The InChIKey is OTWHKCJIYVGXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-20(2,3)29-19(28)24-15-4-6-25(7-5-15)8-9-26-16-10-14(11-21)12-22-18(16)23-13-17(26)27/h10,12-13,15H,4-9H2,1-3H3,(H,24,28).
What are the key properties of tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate has a molecular weight of 398.47 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 130201475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).