5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide

C24H27N5O3 — CID 122180165

IUPAC5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1ccc(C2(c3ccc(-c4cnc(N)cn4)cc3)CCCO2)cn1
InChIInChI=1S/C24H27N5O3/c1-23(2,31)15-29-22(30)19-9-8-18(12-26-19)24(10-3-11-32-24)17-6-4-16(5-7-17)20-13-28-21(25)14-27-20/h4-9,12-14,31H,3,10-11,15H2,1-2H3,(H2,25,28)(H,29,30)
InChIKeySJGLLGFHNAVMQI-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.68
Rot. Bonds6

About 5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide

5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide (PubChem CID 122180165) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
PubChem CID122180165
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1ccc(C2(c3ccc(-c4cnc(N)cn4)cc3)CCCO2)cn1
InChIInChI=1S/C24H27N5O3/c1-23(2,31)15-29-22(30)19-9-8-18(12-26-19)24(10-3-11-32-24)17-6-4-16(5-7-17)20-13-28-21(25)14-27-20/h4-9,12-14,31H,3,10-11,15H2,1-2H3,(H2,25,28)(H,29,30)
InChIKeySJGLLGFHNAVMQI-UHFFFAOYSA-N
XLogP2.68
TPSA123.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide (CID 122180165) is 5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide is CC(C)(O)CNC(=O)c1ccc(C2(c3ccc(-c4cnc(N)cn4)cc3)CCCO2)cn1.
What is the InChIKey of 5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is SJGLLGFHNAVMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-23(2,31)15-29-22(30)19-9-8-18(12-26-19)24(10-3-11-32-24)17-6-4-16(5-7-17)20-13-28-21(25)14-27-20/h4-9,12-14,31H,3,10-11,15H2,1-2H3,(H2,25,28)(H,29,30).
What are the key properties of 5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide?
5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 122180165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).