cyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate

C22H30N8O4 — CID 178147523

IUPACcyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
SMILESCCOc1cnc(NC(=O)N(C)C2CCCN(c3nccc(NC(=O)OC4CCC4)n3)C2)cn1
InChIInChI=1S/C22H30N8O4/c1-3-33-19-13-24-18(12-25-19)27-21(31)29(2)15-6-5-11-30(14-15)20-23-10-9-17(26-20)28-22(32)34-16-7-4-8-16/h9-10,12-13,15-16H,3-8,11,14H2,1-2H3,(H,24,27,31)(H,23,26,28,32)
InChIKeyOUMMRFDVUNRXAY-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.90
Rot. Bonds7

About cyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate

cyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate (PubChem CID 178147523) has the molecular formula C22H30N8O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is cyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namecyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
PubChem CID178147523
Molecular FormulaC22H30N8O4
Molecular Weight470.53 g/mol
Exact Mass470.24
IUPAC Namecyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
SMILESCCOc1cnc(NC(=O)N(C)C2CCCN(c3nccc(NC(=O)OC4CCC4)n3)C2)cn1
InChIInChI=1S/C22H30N8O4/c1-3-33-19-13-24-18(12-25-19)27-21(31)29(2)15-6-5-11-30(14-15)20-23-10-9-17(26-20)28-22(32)34-16-7-4-8-16/h9-10,12-13,15-16H,3-8,11,14H2,1-2H3,(H,24,27,31)(H,23,26,28,32)
InChIKeyOUMMRFDVUNRXAY-UHFFFAOYSA-N
XLogP2.90
TPSA134.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate?
The IUPAC name of cyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate (CID 178147523) is cyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate.
What is the SMILES notation for cyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate?
The canonical SMILES for cyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate is CCOc1cnc(NC(=O)N(C)C2CCCN(c3nccc(NC(=O)OC4CCC4)n3)C2)cn1.
What is the InChIKey of cyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate?
The InChIKey is OUMMRFDVUNRXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N8O4/c1-3-33-19-13-24-18(12-25-19)27-21(31)29(2)15-6-5-11-30(14-15)20-23-10-9-17(26-20)28-22(32)34-16-7-4-8-16/h9-10,12-13,15-16H,3-8,11,14H2,1-2H3,(H,24,27,31)(H,23,26,28,32).
What are the key properties of cyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate?
cyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate has a molecular weight of 470.53 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate is sourced from PubChem (CID 178147523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).